(1R,3S)-2-azabicyclo[3.1.0]hexane-3-carboxylic acid

C6H9NO2 — CID 134343960

IUPAC(1R,3S)-2-azabicyclo[3.1.0]hexane-3-carboxylic acid
SMILESO=C(O)[C@@H]1CC2C[C@H]2N1
InChIInChI=1S/C6H9NO2/c8-6(9)5-2-3-1-4(3)7-5/h3-5,7H,1-2H2,(H,8,9)/t3?,4-,5+/m1/s1
InChIKeyXBEMWFUKTKDJKP-KSFOROOFSA-N
MW127.14 g/mol
LogP-0.18
Rot. Bonds1

About (1R,3S)-2-azabicyclo[3.1.0]hexane-3-carboxylic acid

(1R,3S)-2-azabicyclo[3.1.0]hexane-3-carboxylic acid (PubChem CID 134343960) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is (1R,3S)-2-azabicyclo[3.1.0]hexane-3-carboxylic acid.

Molecular Properties

Compound Name(1R,3S)-2-azabicyclo[3.1.0]hexane-3-carboxylic acid
PubChem CID134343960
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name(1R,3S)-2-azabicyclo[3.1.0]hexane-3-carboxylic acid
SMILESO=C(O)[C@@H]1CC2C[C@H]2N1
InChIInChI=1S/C6H9NO2/c8-6(9)5-2-3-1-4(3)7-5/h3-5,7H,1-2H2,(H,8,9)/t3?,4-,5+/m1/s1
InChIKeyXBEMWFUKTKDJKP-KSFOROOFSA-N
XLogP-0.18
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-hydroxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylic acid
CID 54038911
(3S,5S)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 58594265
(2S,4R)-azetidine-2,4-dicarboxylic acid
CID 2733517
(2S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole-2-carboxylic acid
CID 6543676
6-methylsulfanyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylic acid
CID 170906311
methyl (1S,3S,5S)-2-azabicyclo[3.1.0]hexane-3-carboxylate;hydrochloride
CID 43811016
(1S,3S,5S)-N-cyclopropyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 130878717
(2R,4R)-4-methylazetidine-2-carboxylic acid
CID 138039816
(1R,3S,5R)-N-methyl-N-propan-2-yl-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 131114330
(1S,3S,5S)-N-cyclopentyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;hydrochloride
CID 131065859
7-bromo-5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylic acid
CID 170905475
(1S,3S,5S)-N-(2,2,2-trifluoroethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;hydrochloride
CID 131043154

Frequently Asked Questions

What is the IUPAC name of (1R,3S)-2-azabicyclo[3.1.0]hexane-3-carboxylic acid?
The IUPAC name of (1R,3S)-2-azabicyclo[3.1.0]hexane-3-carboxylic acid (CID 134343960) is (1R,3S)-2-azabicyclo[3.1.0]hexane-3-carboxylic acid.
What is the SMILES notation for (1R,3S)-2-azabicyclo[3.1.0]hexane-3-carboxylic acid?
The canonical SMILES for (1R,3S)-2-azabicyclo[3.1.0]hexane-3-carboxylic acid is O=C(O)[C@@H]1CC2C[C@H]2N1.
What is the InChIKey of (1R,3S)-2-azabicyclo[3.1.0]hexane-3-carboxylic acid?
The InChIKey is XBEMWFUKTKDJKP-KSFOROOFSA-N. The full InChI is InChI=1S/C6H9NO2/c8-6(9)5-2-3-1-4(3)7-5/h3-5,7H,1-2H2,(H,8,9)/t3?,4-,5+/m1/s1.
What are the key properties of (1R,3S)-2-azabicyclo[3.1.0]hexane-3-carboxylic acid?
(1R,3S)-2-azabicyclo[3.1.0]hexane-3-carboxylic acid has a molecular weight of 127.14 g/mol, XLogP of -0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S)-2-azabicyclo[3.1.0]hexane-3-carboxylic acid is sourced from PubChem (CID 134343960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).