Cas no 116498-02-3 (Cyclopropanecarboxylicacid, 1-amino-2,3-dimethyl-, (1a,2b,3b)- (9CI))
116498-02-3 structure
Product Name:Cyclopropanecarboxylicacid, 1-amino-2,3-dimethyl-, (1a,2b,3b)- (9CI)
CAS No:116498-02-3
MF:C6H11NO2
MW:129.157041788101
CID:131232
PubChem ID:13626224
Update Time:2025-04-19
Cyclopropanecarboxylicacid, 1-amino-2,3-dimethyl-, (1a,2b,3b)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Cyclopropanecarboxylicacid, 1-amino-2,3-dimethyl-, (1a,2b,3b)- (9CI)
- Cyclopropanecarboxylic acid, 1-amino-2,3-dimethyl-, (1alpha,2beta,3beta)- (9CI)
- 116498-02-3
- (2R,3S)-1-amino-2,3-dimethylcyclopropane-1-carboxylic acid
- (1R,2R,3S)-1-amino-2,3-dimethylcyclopropanecarboxylic acid
- AKOS006350571
- Cyclopropanecarboxylic acid, 1-amino-2,3-dimethyl-, (1alpha,2alpha,3alpha)- (9CI)
- 116498-01-2
- AKOS006350170
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- Inchi: 1S/C6H11NO2/c1-3-4(2)6(3,7)5(8)9/h3-4H,7H2,1-2H3,(H,8,9)/t3-,4+,6?
- InChI Key: OWYKWRBYBBHPFS-WBMBKJJNSA-N
- SMILES: OC(C1([C@@H](C)[C@H]1C)N)=O
Computed Properties
- Exact Mass: 129.07903
- Monoisotopic Mass: 129.078978594g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 147
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -2.2
- Topological Polar Surface Area: 63.3?2
Experimental Properties
- PSA: 63.32
Cyclopropanecarboxylicacid, 1-amino-2,3-dimethyl-, (1a,2b,3b)- (9CI) Related Literature
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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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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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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