(2R)-4-methyl-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonylamino)pentanoic acid

C13H19N3O3 — CID 91645213

IUPAC(2R)-4-methyl-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonylamino)pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)c1n[nH]c2c1CCC2)C(=O)O
InChIInChI=1S/C13H19N3O3/c1-7(2)6-10(13(18)19)14-12(17)11-8-4-3-5-9(8)15-16-11/h7,10H,3-6H2,1-2H3,(H,14,17)(H,15,16)(H,18,19)/t10-/m1/s1
InChIKeyOIOLHZGHDXXYOK-SNVBAGLBSA-N
MW265.31 g/mol
LogP1.13
Rot. Bonds5

About (2R)-4-methyl-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonylamino)pentanoic acid

(2R)-4-methyl-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonylamino)pentanoic acid (PubChem CID 91645213) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is (2R)-4-methyl-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonylamino)pentanoic acid.

Molecular Properties

Compound Name(2R)-4-methyl-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonylamino)pentanoic acid
PubChem CID91645213
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name(2R)-4-methyl-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonylamino)pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)c1n[nH]c2c1CCC2)C(=O)O
InChIInChI=1S/C13H19N3O3/c1-7(2)6-10(13(18)19)14-12(17)11-8-4-3-5-9(8)15-16-11/h7,10H,3-6H2,1-2H3,(H,14,17)(H,15,16)(H,18,19)/t10-/m1/s1
InChIKeyOIOLHZGHDXXYOK-SNVBAGLBSA-N
XLogP1.13
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-butan-2-yl]-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxamide
CID 97046545
(2R)-2-[(4,5-dimethyl-1H-pyrazole-3-carbonyl)amino]-4-methylpentanoic acid
CID 110835300
N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 99870982
N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide
CID 124852516
N-[(1R)-3-methyl-1-(1-methylbenzimidazol-2-yl)butyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 124851250
N-(2-propan-2-yloxyethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110610403
N-(2-amino-2-methylpropyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119625986
N-[(2S,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide
CID 124721703
N-(butan-2-ylideneamino)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 872955
N-(2-ethyl-2-hydroxybutyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 111483509
N-[(1-propan-2-ylpyrazol-3-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 146089000
(2R)-2-[(4-fluorobenzoyl)amino]-4-methylpentanoic acid
CID 2451208

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonylamino)pentanoic acid?
The IUPAC name of (2R)-4-methyl-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonylamino)pentanoic acid (CID 91645213) is (2R)-4-methyl-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonylamino)pentanoic acid.
What is the SMILES notation for (2R)-4-methyl-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonylamino)pentanoic acid?
The canonical SMILES for (2R)-4-methyl-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonylamino)pentanoic acid is CC(C)C[C@@H](NC(=O)c1n[nH]c2c1CCC2)C(=O)O.
What is the InChIKey of (2R)-4-methyl-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonylamino)pentanoic acid?
The InChIKey is OIOLHZGHDXXYOK-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-7(2)6-10(13(18)19)14-12(17)11-8-4-3-5-9(8)15-16-11/h7,10H,3-6H2,1-2H3,(H,14,17)(H,15,16)(H,18,19)/t10-/m1/s1.
What are the key properties of (2R)-4-methyl-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonylamino)pentanoic acid?
(2R)-4-methyl-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonylamino)pentanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.13, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonylamino)pentanoic acid is sourced from PubChem (CID 91645213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).