Cas no 114923-78-3 (Heptanoic acid,2-amino-2-methyl-, (2S)-)
114923-78-3 structure
Product Name:Heptanoic acid,2-amino-2-methyl-, (2S)-
CAS No:114923-78-3
MF:C8H17NO2
MW:159.2260825634
CID:132513
PubChem ID:13956155
Update Time:2025-04-19
Heptanoic acid,2-amino-2-methyl-, (2S)- Chemical and Physical Properties
Names and Identifiers
-
- Heptanoic acid,2-amino-2-methyl-, (2S)-
- Heptanoic acid, 2-amino-2-methyl-, (2S)- (9CI)
- 114923-78-3
- SCHEMBL18646645
- (2S)-2-amino-2-methylheptanoic acid
-
- Inchi： 1S/C8H17NO2/c1-3-4-5-6-8(2,9)7(10)11/h3-6,9H2,1-2H3,(H,10,11)/t8-/m0/s1
- InChI Key： HENXVCQQPFPENU-QMMMGPOBSA-N
- SMILES： OC([C@](C)(CCCCC)N)=O
Computed Properties
- Exact Mass: 159.12601
- Monoisotopic Mass: 159.125928785g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 5
- Complexity: 136
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.8
- Topological Polar Surface Area: 63.3?2
Experimental Properties
- PSA: 63.32
Heptanoic acid,2-amino-2-methyl-, (2S)- Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
114923-78-3 (Heptanoic acid,2-amino-2-methyl-, (2S)-) Related Products
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- 138751-02-7((2R)-2-amino-5-methyl-hexanoic acid)
- 31872-98-7(5-Methyl-L-norleucine)
- 61-90-5(L-Leucine)
- 22264-50-2(1-Aminocyclobutanecarboxylic acid)
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