(1R,3S,5R)-3-(1H-imidazol-2-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylic acid

C9H11N3O2 — CID 141299508

IUPAC(1R,3S,5R)-3-(1H-imidazol-2-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylic acid
SMILESO=C(O)N1[C@@H]2C[C@@H]2C[C@H]1c1ncc[nH]1
InChIInChI=1S/C9H11N3O2/c13-9(14)12-6-3-5(6)4-7(12)8-10-1-2-11-8/h1-2,5-7H,3-4H2,(H,10,11)(H,13,14)/t5-,6-,7+/m1/s1
InChIKeyROCZPRSBOVHSEE-QYNIQEEDSA-N
MW193.21 g/mol
LogP1.22
Rot. Bonds1

About (1R,3S,5R)-3-(1H-imidazol-2-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylic acid

(1R,3S,5R)-3-(1H-imidazol-2-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylic acid (PubChem CID 141299508) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is (1R,3S,5R)-3-(1H-imidazol-2-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylic acid.

Molecular Properties

Compound Name(1R,3S,5R)-3-(1H-imidazol-2-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylic acid
PubChem CID141299508
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name(1R,3S,5R)-3-(1H-imidazol-2-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylic acid
SMILESO=C(O)N1[C@@H]2C[C@@H]2C[C@H]1c1ncc[nH]1
InChIInChI=1S/C9H11N3O2/c13-9(14)12-6-3-5(6)4-7(12)8-10-1-2-11-8/h1-2,5-7H,3-4H2,(H,10,11)(H,13,14)/t5-,6-,7+/m1/s1
InChIKeyROCZPRSBOVHSEE-QYNIQEEDSA-N
XLogP1.22
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R,3S,5R)-3-(1H-imidazol-2-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylic acid with MolForge

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Related Compounds

(2S,4S)-2-(1H-imidazol-2-yl)-4-methylpyrrolidine-1-carboxylic acid
CID 89103770
3-[6-(6-bromonaphthalen-2-yl)-1H-benzimidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylic acid
CID 66982019
3-(1H-imidazol-2-yl)piperidine-1-carboxylic acid
CID 90026172
[(1R,2S)-2-cyclopropylcyclopropyl]-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone
CID 129330670
[(1R,2R)-2-cyclopropylcyclopropyl]-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]methanone
CID 129338372
2-(1H-imidazol-2-yl)-N-phenylpyrrolidine-1-carboxamide
CID 75401483
tert-butyl (1R,3S,5R)-3-(5-bromo-1H-imidazol-2-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylate
CID 90299666
5-[4-(1H-imidazol-2-yl)piperidin-1-yl]-5-oxopentanoic acid
CID 110482691
[2-(1H-imidazol-2-yl)pyrrolidin-1-yl]phosphane
CID 58449560
5-(1H-imidazol-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide
CID 145225642
(1R,3S,5R)-3-[5-[6-[4-[2-[(1R,3S,5S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]quinoxalin-2-yl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylic acid
CID 66982489
(1-tert-butyl-1,2,4-triazol-3-yl)-[(2S,4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methanone
CID 154762137

Frequently Asked Questions

What is the IUPAC name of (1R,3S,5R)-3-(1H-imidazol-2-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylic acid?
The IUPAC name of (1R,3S,5R)-3-(1H-imidazol-2-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylic acid (CID 141299508) is (1R,3S,5R)-3-(1H-imidazol-2-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylic acid.
What is the SMILES notation for (1R,3S,5R)-3-(1H-imidazol-2-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylic acid?
The canonical SMILES for (1R,3S,5R)-3-(1H-imidazol-2-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylic acid is O=C(O)N1[C@@H]2C[C@@H]2C[C@H]1c1ncc[nH]1.
What is the InChIKey of (1R,3S,5R)-3-(1H-imidazol-2-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylic acid?
The InChIKey is ROCZPRSBOVHSEE-QYNIQEEDSA-N. The full InChI is InChI=1S/C9H11N3O2/c13-9(14)12-6-3-5(6)4-7(12)8-10-1-2-11-8/h1-2,5-7H,3-4H2,(H,10,11)(H,13,14)/t5-,6-,7+/m1/s1.
What are the key properties of (1R,3S,5R)-3-(1H-imidazol-2-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylic acid?
(1R,3S,5R)-3-(1H-imidazol-2-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylic acid has a molecular weight of 193.21 g/mol, XLogP of 1.22, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,5R)-3-(1H-imidazol-2-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylic acid is sourced from PubChem (CID 141299508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).