(2R)-2-[(1-cyclopentylpyrazole-3-carbonyl)amino]-3-methylbutanoic acid

C14H21N3O3 — CID 99851518

IUPAC(2R)-2-[(1-cyclopentylpyrazole-3-carbonyl)amino]-3-methylbutanoic acid
SMILESCC(C)[C@@H](NC(=O)c1ccn(C2CCCC2)n1)C(=O)O
InChIInChI=1S/C14H21N3O3/c1-9(2)12(14(19)20)15-13(18)11-7-8-17(16-11)10-5-3-4-6-10/h7-10,12H,3-6H2,1-2H3,(H,15,18)(H,19,20)/t12-/m1/s1
InChIKeyWNKNWBOGRONYCI-GFCCVEGCSA-N
MW279.34 g/mol
LogP1.84
Rot. Bonds5

About (2R)-2-[(1-cyclopentylpyrazole-3-carbonyl)amino]-3-methylbutanoic acid

(2R)-2-[(1-cyclopentylpyrazole-3-carbonyl)amino]-3-methylbutanoic acid (PubChem CID 99851518) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is (2R)-2-[(1-cyclopentylpyrazole-3-carbonyl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(1-cyclopentylpyrazole-3-carbonyl)amino]-3-methylbutanoic acid
PubChem CID99851518
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name(2R)-2-[(1-cyclopentylpyrazole-3-carbonyl)amino]-3-methylbutanoic acid
SMILESCC(C)[C@@H](NC(=O)c1ccn(C2CCCC2)n1)C(=O)O
InChIInChI=1S/C14H21N3O3/c1-9(2)12(14(19)20)15-13(18)11-7-8-17(16-11)10-5-3-4-6-10/h7-10,12H,3-6H2,1-2H3,(H,15,18)(H,19,20)/t12-/m1/s1
InChIKeyWNKNWBOGRONYCI-GFCCVEGCSA-N
XLogP1.84
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]pyrazole-3-carboxamide
CID 75483755
1-cyclopentyl-N-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]pyrazole-3-carboxamide
CID 97247623
3-[(1-cyclopentylpyrazole-3-carbonyl)amino]-3-(2-methylphenyl)propanoic acid
CID 86782572
1-cyclopentyl-N-[2-[ethyl(methyl)amino]ethyl]pyrazole-3-carboxamide
CID 71968725
1-cyclopentyl-N-(oxiran-2-ylmethyl)pyrazole-3-carboxamide
CID 102548381
1-cyclopentyl-N-[(2R,3R)-2-(2-methylpropyl)oxan-3-yl]pyrazole-3-carboxamide
CID 99786412
1-(1-cyclobutylpyrazol-3-yl)propan-1-one
CID 174824518
3-[(1-cyclopentylpyrazol-3-yl)methyl-methylamino]propanoic acid
CID 64785385
2-[(1-cyclopentylpyrazol-3-yl)methylsulfinyl]-3-methylbutanoic acid
CID 105355745
2-[(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)amino]-3-methylbutanoic acid
CID 119170063
2-[(1-cyclopentylpyrazol-3-yl)methylsulfonyl]-3-methylbutanoic acid
CID 105354630
(2R)-2-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]-3-methylbutanoic acid
CID 119368330

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1-cyclopentylpyrazole-3-carbonyl)amino]-3-methylbutanoic acid?
The IUPAC name of (2R)-2-[(1-cyclopentylpyrazole-3-carbonyl)amino]-3-methylbutanoic acid (CID 99851518) is (2R)-2-[(1-cyclopentylpyrazole-3-carbonyl)amino]-3-methylbutanoic acid.
What is the SMILES notation for (2R)-2-[(1-cyclopentylpyrazole-3-carbonyl)amino]-3-methylbutanoic acid?
The canonical SMILES for (2R)-2-[(1-cyclopentylpyrazole-3-carbonyl)amino]-3-methylbutanoic acid is CC(C)[C@@H](NC(=O)c1ccn(C2CCCC2)n1)C(=O)O.
What is the InChIKey of (2R)-2-[(1-cyclopentylpyrazole-3-carbonyl)amino]-3-methylbutanoic acid?
The InChIKey is WNKNWBOGRONYCI-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-9(2)12(14(19)20)15-13(18)11-7-8-17(16-11)10-5-3-4-6-10/h7-10,12H,3-6H2,1-2H3,(H,15,18)(H,19,20)/t12-/m1/s1.
What are the key properties of (2R)-2-[(1-cyclopentylpyrazole-3-carbonyl)amino]-3-methylbutanoic acid?
(2R)-2-[(1-cyclopentylpyrazole-3-carbonyl)amino]-3-methylbutanoic acid has a molecular weight of 279.34 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1-cyclopentylpyrazole-3-carbonyl)amino]-3-methylbutanoic acid is sourced from PubChem (CID 99851518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).