Cas no 74758-63-7 (4-Oxa-1-azabicyclo[3.2.0]heptane-3-propanoicacid, a-amino-7-oxo-, (aS,3S,5S)-)
![4-Oxa-1-azabicyclo[3.2.0]heptane-3-propanoicacid, a-amino-7-oxo-, (aS,3S,5S)- structure](https://ossimg.kuujia.com/scimg/75000/74758-63-7x500.png)
74758-63-7 structure
Product Name:4-Oxa-1-azabicyclo[3.2.0]heptane-3-propanoicacid, a-amino-7-oxo-, (aS,3S,5S)-
CAS No:74758-63-7
MF:C8H12N2O4
MW:200.191882133484
CID:573230
PubChem ID:194618
Update Time:2025-04-19
4-Oxa-1-azabicyclo[3.2.0]heptane-3-propanoicacid, a-amino-7-oxo-, (aS,3S,5S)- Chemical and Physical Properties
Names and Identifiers
-
- 4-Oxa-1-azabicyclo[3.2.0]heptane-3-propanoicacid, a-amino-7-oxo-, (aS,3S,5S)-
- (2S)-2-amino-3-[(3S,5S)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl]propanoic acid
- 3-(7-oxo-1-aza-4-oxabicyclo(3.2.0)hept-3-yl)alanine
- Ro 22-5417
- Ro-22-5417
- C17360
- 74758-63-7
- DTXSID80225739
- 4-Oxa-1-azabicyclo(3.2.0)heptane-3-propanoic acid, alpha-amino-7-oxo-, (3S-(3alpha(R*),5alpha))-
- Alanylclavam
- Q27154988
- CHEBI:81029
- Clavalanine
- 3-[(3S,5S)-7-oxo-1-aza-4-oxabicyclo[3.2.0]hept-3-yl]-L-alanine
-
- Inchi： 1S/C8H12N2O4/c9-5(8(12)13)1-4-3-10-6(11)2-7(10)14-4/h4-5,7H,1-3,9H2,(H,12,13)/t4-,5-,7-/m0/s1
- InChI Key： KCAIYJDHLVYANU-VPLCAKHXSA-N
- SMILES： O1[C@@H](C[C@@H](C(=O)O)N)CN2C(C[C@H]12)=O
Computed Properties
- Exact Mass: 200.08
- Monoisotopic Mass: 200.08
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 281
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 2
- XLogP3: -3.9
- Topological Polar Surface Area: 92.9?2
Experimental Properties
- Density: 1.49
- Boiling Point: 443.6°C at 760 mmHg
- Flash Point: 222.1°C
- Refractive Index: 1.602
4-Oxa-1-azabicyclo[3.2.0]heptane-3-propanoicacid, a-amino-7-oxo-, (aS,3S,5S)- Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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3. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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