(2R)-2-[(5-cyclopropyl-1-methylpyrazole-3-carbonyl)amino]-4-methylpentanoic acid

C14H21N3O3 — CID 119364489

IUPAC(2R)-2-[(5-cyclopropyl-1-methylpyrazole-3-carbonyl)amino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)c1cc(C2CC2)n(C)n1)C(=O)O
InChIInChI=1S/C14H21N3O3/c1-8(2)6-11(14(19)20)15-13(18)10-7-12(9-4-5-9)17(3)16-10/h7-9,11H,4-6H2,1-3H3,(H,15,18)(H,19,20)/t11-/m1/s1
InChIKeyYKFDIQGPPNGEQS-LLVKDONJSA-N
MW279.34 g/mol
LogP1.53
Rot. Bonds6

About (2R)-2-[(5-cyclopropyl-1-methylpyrazole-3-carbonyl)amino]-4-methylpentanoic acid

(2R)-2-[(5-cyclopropyl-1-methylpyrazole-3-carbonyl)amino]-4-methylpentanoic acid (PubChem CID 119364489) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is (2R)-2-[(5-cyclopropyl-1-methylpyrazole-3-carbonyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(5-cyclopropyl-1-methylpyrazole-3-carbonyl)amino]-4-methylpentanoic acid
PubChem CID119364489
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name(2R)-2-[(5-cyclopropyl-1-methylpyrazole-3-carbonyl)amino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)c1cc(C2CC2)n(C)n1)C(=O)O
InChIInChI=1S/C14H21N3O3/c1-8(2)6-11(14(19)20)15-13(18)10-7-12(9-4-5-9)17(3)16-10/h7-9,11H,4-6H2,1-3H3,(H,15,18)(H,19,20)/t11-/m1/s1
InChIKeyYKFDIQGPPNGEQS-LLVKDONJSA-N
XLogP1.53
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-cyclopropyl-1-methylpyrazole-3-carbonyl)amino]propanoic acid
CID 119349056
4-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pentanoic acid
CID 43091764
4-methyl-2-[(1-methylimidazole-4-carbonyl)amino]pentanoic acid
CID 107971121
2-(5-cyclopentyl-1-methylpyrazol-3-yl)propanoic acid
CID 105479308
(2S)-4-methyl-2-[(1-methylpyrazole-4-carbonyl)amino]pentanoic acid
CID 28742395
(2R)-2-[(1,3-dimethylpyrazole-4-carbonyl)amino]-4-methylpentanoic acid
CID 96582780
(2R)-4-methyl-2-[(1-methyl-3-propan-2-ylpyrazole-4-carbonyl)amino]pentanoic acid
CID 119363452
(2S)-2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-4-methylpentanoic acid
CID 28777199
2-[(4-chloro-1,5-dimethylpyrazole-3-carbonyl)amino]-4-methylpentanoic acid
CID 122107248
(2S)-2-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]-4-methylpentanoic acid
CID 119362071
2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid
CID 43353357
(2S)-4-methyl-2-[(1-phenylpyrazole-3-carbonyl)amino]pentanoic acid
CID 119362167

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-cyclopropyl-1-methylpyrazole-3-carbonyl)amino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[(5-cyclopropyl-1-methylpyrazole-3-carbonyl)amino]-4-methylpentanoic acid (CID 119364489) is (2R)-2-[(5-cyclopropyl-1-methylpyrazole-3-carbonyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[(5-cyclopropyl-1-methylpyrazole-3-carbonyl)amino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[(5-cyclopropyl-1-methylpyrazole-3-carbonyl)amino]-4-methylpentanoic acid is CC(C)C[C@@H](NC(=O)c1cc(C2CC2)n(C)n1)C(=O)O.
What is the InChIKey of (2R)-2-[(5-cyclopropyl-1-methylpyrazole-3-carbonyl)amino]-4-methylpentanoic acid?
The InChIKey is YKFDIQGPPNGEQS-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-8(2)6-11(14(19)20)15-13(18)10-7-12(9-4-5-9)17(3)16-10/h7-9,11H,4-6H2,1-3H3,(H,15,18)(H,19,20)/t11-/m1/s1.
What are the key properties of (2R)-2-[(5-cyclopropyl-1-methylpyrazole-3-carbonyl)amino]-4-methylpentanoic acid?
(2R)-2-[(5-cyclopropyl-1-methylpyrazole-3-carbonyl)amino]-4-methylpentanoic acid has a molecular weight of 279.34 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-cyclopropyl-1-methylpyrazole-3-carbonyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 119364489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).