(2R)-3-[cyclopropyl-(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]-2-methylpropanoic acid

C14H19N3O3 — CID 129414956

IUPAC(2R)-3-[cyclopropyl-(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]-2-methylpropanoic acid
SMILESC[C@H](CN(C(=O)c1cc(C2CC2)[nH]n1)C1CC1)C(=O)O
InChIInChI=1S/C14H19N3O3/c1-8(14(19)20)7-17(10-4-5-10)13(18)12-6-11(15-16-12)9-2-3-9/h6,8-10H,2-5,7H2,1H3,(H,15,16)(H,19,20)/t8-/m1/s1
InChIKeyFWUMJYGJZHHROM-MRVPVSSYSA-N
MW277.32 g/mol
LogP1.61
Rot. Bonds6

About (2R)-3-[cyclopropyl-(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]-2-methylpropanoic acid

(2R)-3-[cyclopropyl-(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]-2-methylpropanoic acid (PubChem CID 129414956) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is (2R)-3-[cyclopropyl-(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name(2R)-3-[cyclopropyl-(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]-2-methylpropanoic acid
PubChem CID129414956
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name(2R)-3-[cyclopropyl-(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]-2-methylpropanoic acid
SMILESC[C@H](CN(C(=O)c1cc(C2CC2)[nH]n1)C1CC1)C(=O)O
InChIInChI=1S/C14H19N3O3/c1-8(14(19)20)7-17(10-4-5-10)13(18)12-6-11(15-16-12)9-2-3-9/h6,8-10H,2-5,7H2,1H3,(H,15,16)(H,19,20)/t8-/m1/s1
InChIKeyFWUMJYGJZHHROM-MRVPVSSYSA-N
XLogP1.61
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-[cyclopropyl-(4-fluorobenzoyl)amino]-2-methylpropanoic acid
CID 95540195
(2R)-3-[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)-cyclopropylamino]-2-methylpropanoic acid
CID 124688962
5-cyclopropyl-N-(1-hydroxypropan-2-yl)-1H-pyrazole-3-carboxamide
CID 146085389
3-[cyclopropyl-(3,4-dimethylbenzoyl)amino]-2-methylpropanoic acid
CID 82325036
3-[4-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]-2-methylpropanoic acid
CID 120541340
(2R)-3-[cyclopropyl-(3-methylbenzoyl)amino]-2-methylpropanoic acid
CID 95539938
3-[cyclopropyl(quinoline-2-carbonyl)amino]-2-methylpropanoic acid
CID 120535420
5-cyclopropyl-N-[(2S)-1-[di(propan-2-yl)amino]propan-2-yl]-1H-pyrazole-3-carboxamide
CID 51853296
3-[cyclopropyl-[4-(diethylcarbamoyl)benzoyl]amino]-2-methylpropanoic acid
CID 120689451
3-[cyclopropyl-(3-methyl-1,2-thiazole-4-carbonyl)amino]-2-methylpropanoic acid
CID 120535256
N-benzyl-5-cyclopropyl-N-[(3S)-1,1-dioxothiolan-3-yl]-1H-pyrazole-3-carboxamide
CID 94014326
3-[cyclopropyl-[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]-2-methylpropanoic acid
CID 120535230

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[cyclopropyl-(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]-2-methylpropanoic acid?
The IUPAC name of (2R)-3-[cyclopropyl-(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]-2-methylpropanoic acid (CID 129414956) is (2R)-3-[cyclopropyl-(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for (2R)-3-[cyclopropyl-(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]-2-methylpropanoic acid?
The canonical SMILES for (2R)-3-[cyclopropyl-(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]-2-methylpropanoic acid is C[C@H](CN(C(=O)c1cc(C2CC2)[nH]n1)C1CC1)C(=O)O.
What is the InChIKey of (2R)-3-[cyclopropyl-(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]-2-methylpropanoic acid?
The InChIKey is FWUMJYGJZHHROM-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-8(14(19)20)7-17(10-4-5-10)13(18)12-6-11(15-16-12)9-2-3-9/h6,8-10H,2-5,7H2,1H3,(H,15,16)(H,19,20)/t8-/m1/s1.
What are the key properties of (2R)-3-[cyclopropyl-(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]-2-methylpropanoic acid?
(2R)-3-[cyclopropyl-(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]-2-methylpropanoic acid has a molecular weight of 277.32 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[cyclopropyl-(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 129414956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).