(1R,5S)-2-azabicyclo[3.1.0]hexane-5-carboxylic acid

C6H9NO2 — CID 98111876

IUPAC(1R,5S)-2-azabicyclo[3.1.0]hexane-5-carboxylic acid
SMILESO=C(O)[C@]12CCN[C@@H]1C2
InChIInChI=1S/C6H9NO2/c8-5(9)6-1-2-7-4(6)3-6/h4,7H,1-3H2,(H,8,9)/t4-,6+/m1/s1
InChIKeyJYHVSRGEHWDOCH-XINAWCOVSA-N
MW127.14 g/mol
LogP-0.18
Rot. Bonds1

About (1R,5S)-2-azabicyclo[3.1.0]hexane-5-carboxylic acid

(1R,5S)-2-azabicyclo[3.1.0]hexane-5-carboxylic acid (PubChem CID 98111876) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is (1R,5S)-2-azabicyclo[3.1.0]hexane-5-carboxylic acid.

Molecular Properties

Compound Name(1R,5S)-2-azabicyclo[3.1.0]hexane-5-carboxylic acid
PubChem CID98111876
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name(1R,5S)-2-azabicyclo[3.1.0]hexane-5-carboxylic acid
SMILESO=C(O)[C@]12CCN[C@@H]1C2
InChIInChI=1S/C6H9NO2/c8-5(9)6-1-2-7-4(6)3-6/h4,7H,1-3H2,(H,8,9)/t4-,6+/m1/s1
InChIKeyJYHVSRGEHWDOCH-XINAWCOVSA-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

2,3,4,5,6,7,8,8a-octahydro-1H-quinoline-4a-carboxylic acid
CID 82655138
7-oxo-2,6-diazabicyclo[3.2.1]octane-5-carboxylic acid
CID 105434380
methyl (3aS,6aR)-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-3a-carboxylate
CID 167739534
(1S,6R)-3-azabicyclo[4.1.0]heptane-1-carboxylic acid;hydrochloride
CID 71756356
tert-butyl (3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrole-3a-carboxylate
CID 124703584
methyl 2,3,4,5,7,7a-hexahydro-1H-thiopyrano[3,4-b]pyrrole-3a-carboxylate
CID 105453849
(1S,4R)-5-azabicyclo[2.1.1]hexane-1-carboxylic acid
CID 102086861
1-cyclopropyl-4-hydroxycyclohexane-1-carboxylic acid
CID 127019039
spiro[3,4,5,6,7,7a-hexahydro-1H-indene-2,4'-piperidine]-3a-carboxylic acid
CID 141032802
3-oxo-2,5-diazabicyclo[2.2.1]heptane-1-carboxylic acid
CID 105430443
4-cyclohexylpiperidine-4-carboxylic acid;formamide;hydrochloride
CID 174574194
(1R)-3-azabicyclo[3.1.0]hexane-1-carboxylic acid;hydrochloride
CID 118108637

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-2-azabicyclo[3.1.0]hexane-5-carboxylic acid?
The IUPAC name of (1R,5S)-2-azabicyclo[3.1.0]hexane-5-carboxylic acid (CID 98111876) is (1R,5S)-2-azabicyclo[3.1.0]hexane-5-carboxylic acid.
What is the SMILES notation for (1R,5S)-2-azabicyclo[3.1.0]hexane-5-carboxylic acid?
The canonical SMILES for (1R,5S)-2-azabicyclo[3.1.0]hexane-5-carboxylic acid is O=C(O)[C@]12CCN[C@@H]1C2.
What is the InChIKey of (1R,5S)-2-azabicyclo[3.1.0]hexane-5-carboxylic acid?
The InChIKey is JYHVSRGEHWDOCH-XINAWCOVSA-N. The full InChI is InChI=1S/C6H9NO2/c8-5(9)6-1-2-7-4(6)3-6/h4,7H,1-3H2,(H,8,9)/t4-,6+/m1/s1.
What are the key properties of (1R,5S)-2-azabicyclo[3.1.0]hexane-5-carboxylic acid?
(1R,5S)-2-azabicyclo[3.1.0]hexane-5-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,5S)-2-azabicyclo[3.1.0]hexane-5-carboxylic acid is sourced from PubChem (CID 98111876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).