(1R,2R,4S,5S)-4-[[2-(1H-pyrazol-5-yl)acetyl]amino]bicyclo[3.1.0]hexane-2-carboxylic acid

C12H15N3O3 — CID 154867349

IUPAC(1R,2R,4S,5S)-4-[[2-(1H-pyrazol-5-yl)acetyl]amino]bicyclo[3.1.0]hexane-2-carboxylic acid
SMILESO=C(Cc1ccn[nH]1)N[C@H]1C[C@@H](C(=O)O)[C@@H]2C[C@@H]21
InChIInChI=1S/C12H15N3O3/c16-11(3-6-1-2-13-15-6)14-10-5-9(12(17)18)7-4-8(7)10/h1-2,7-10H,3-5H2,(H,13,15)(H,14,16)(H,17,18)/t7-,8+,9-,10+/m1/s1
InChIKeyHEYCBBLNBICPFF-RGOKHQFPSA-N
MW249.27 g/mol
LogP0.18
Rot. Bonds4

About (1R,2R,4S,5S)-4-[[2-(1H-pyrazol-5-yl)acetyl]amino]bicyclo[3.1.0]hexane-2-carboxylic acid

(1R,2R,4S,5S)-4-[[2-(1H-pyrazol-5-yl)acetyl]amino]bicyclo[3.1.0]hexane-2-carboxylic acid (PubChem CID 154867349) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is (1R,2R,4S,5S)-4-[[2-(1H-pyrazol-5-yl)acetyl]amino]bicyclo[3.1.0]hexane-2-carboxylic acid.

Molecular Properties

Compound Name(1R,2R,4S,5S)-4-[[2-(1H-pyrazol-5-yl)acetyl]amino]bicyclo[3.1.0]hexane-2-carboxylic acid
PubChem CID154867349
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name(1R,2R,4S,5S)-4-[[2-(1H-pyrazol-5-yl)acetyl]amino]bicyclo[3.1.0]hexane-2-carboxylic acid
SMILESO=C(Cc1ccn[nH]1)N[C@H]1C[C@@H](C(=O)O)[C@@H]2C[C@@H]21
InChIInChI=1S/C12H15N3O3/c16-11(3-6-1-2-13-15-6)14-10-5-9(12(17)18)7-4-8(7)10/h1-2,7-10H,3-5H2,(H,13,15)(H,14,16)(H,17,18)/t7-,8+,9-,10+/m1/s1
InChIKeyHEYCBBLNBICPFF-RGOKHQFPSA-N
XLogP0.18
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (1R,2R,4S,5S)-4-[[2-(1H-pyrazol-5-yl)acetyl]amino]bicyclo[3.1.0]hexane-2-carboxylic acid with MolForge

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Related Compounds

cis-(1R,3S)-3-[[2-(1H-pyrazol-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 106320327
N-[(1R,2S)-2-(2-methylphenyl)cyclopropyl]-2-(1H-pyrazol-5-yl)acetamide
CID 146093136
N-methyl-2-(1H-pyrazol-5-yl)acetamide
CID 79004016
2-(1H-pyrazol-5-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 61283327
2-cyclopropyl-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]acetic acid
CID 79139200
(1S,3S,4S)-N-(2,3-dihydro-1H-inden-2-yl)-3-hydroxy-4-[[2-(1H-pyrazol-5-yl)acetyl]amino]cyclopentane-1-carboxamide
CID 162637932
N-piperidin-3-yl-2-(1H-pyrazol-5-yl)acetamide
CID 112530944
4-methyl-2-(1H-pyrazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114390788
N-tert-butyl-2-(1H-pyrazol-5-yl)acetamide
CID 79026363
N-[(3-hydroxycyclopentyl)methyl]-2-(1H-pyrazol-5-yl)acetamide
CID 103279716
1-[[2-(1H-pyrazol-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 79139388
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(1H-pyrazol-5-yl)acetamide
CID 79139213

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S,5S)-4-[[2-(1H-pyrazol-5-yl)acetyl]amino]bicyclo[3.1.0]hexane-2-carboxylic acid?
The IUPAC name of (1R,2R,4S,5S)-4-[[2-(1H-pyrazol-5-yl)acetyl]amino]bicyclo[3.1.0]hexane-2-carboxylic acid (CID 154867349) is (1R,2R,4S,5S)-4-[[2-(1H-pyrazol-5-yl)acetyl]amino]bicyclo[3.1.0]hexane-2-carboxylic acid.
What is the SMILES notation for (1R,2R,4S,5S)-4-[[2-(1H-pyrazol-5-yl)acetyl]amino]bicyclo[3.1.0]hexane-2-carboxylic acid?
The canonical SMILES for (1R,2R,4S,5S)-4-[[2-(1H-pyrazol-5-yl)acetyl]amino]bicyclo[3.1.0]hexane-2-carboxylic acid is O=C(Cc1ccn[nH]1)N[C@H]1C[C@@H](C(=O)O)[C@@H]2C[C@@H]21.
What is the InChIKey of (1R,2R,4S,5S)-4-[[2-(1H-pyrazol-5-yl)acetyl]amino]bicyclo[3.1.0]hexane-2-carboxylic acid?
The InChIKey is HEYCBBLNBICPFF-RGOKHQFPSA-N. The full InChI is InChI=1S/C12H15N3O3/c16-11(3-6-1-2-13-15-6)14-10-5-9(12(17)18)7-4-8(7)10/h1-2,7-10H,3-5H2,(H,13,15)(H,14,16)(H,17,18)/t7-,8+,9-,10+/m1/s1.
What are the key properties of (1R,2R,4S,5S)-4-[[2-(1H-pyrazol-5-yl)acetyl]amino]bicyclo[3.1.0]hexane-2-carboxylic acid?
(1R,2R,4S,5S)-4-[[2-(1H-pyrazol-5-yl)acetyl]amino]bicyclo[3.1.0]hexane-2-carboxylic acid has a molecular weight of 249.27 g/mol, XLogP of 0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S,5S)-4-[[2-(1H-pyrazol-5-yl)acetyl]amino]bicyclo[3.1.0]hexane-2-carboxylic acid is sourced from PubChem (CID 154867349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).