(2R)-2-[(1-cyclohexylpyrazole-4-carbonyl)amino]-3,3-dimethylbutanoic acid

C16H25N3O3 — CID 97069986

IUPAC(2R)-2-[(1-cyclohexylpyrazole-4-carbonyl)amino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)[C@@H](NC(=O)c1cnn(C2CCCCC2)c1)C(=O)O
InChIInChI=1S/C16H25N3O3/c1-16(2,3)13(15(21)22)18-14(20)11-9-17-19(10-11)12-7-5-4-6-8-12/h9-10,12-13H,4-8H2,1-3H3,(H,18,20)(H,21,22)/t13-/m0/s1
InChIKeyCDGIVBGYDMKIBR-ZDUSSCGKSA-N
MW307.39 g/mol
LogP2.62
Rot. Bonds4

About (2R)-2-[(1-cyclohexylpyrazole-4-carbonyl)amino]-3,3-dimethylbutanoic acid

(2R)-2-[(1-cyclohexylpyrazole-4-carbonyl)amino]-3,3-dimethylbutanoic acid (PubChem CID 97069986) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is (2R)-2-[(1-cyclohexylpyrazole-4-carbonyl)amino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(1-cyclohexylpyrazole-4-carbonyl)amino]-3,3-dimethylbutanoic acid
PubChem CID97069986
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name(2R)-2-[(1-cyclohexylpyrazole-4-carbonyl)amino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)[C@@H](NC(=O)c1cnn(C2CCCCC2)c1)C(=O)O
InChIInChI=1S/C16H25N3O3/c1-16(2,3)13(15(21)22)18-14(20)11-9-17-19(10-11)12-7-5-4-6-8-12/h9-10,12-13H,4-8H2,1-3H3,(H,18,20)(H,21,22)/t13-/m0/s1
InChIKeyCDGIVBGYDMKIBR-ZDUSSCGKSA-N
XLogP2.62
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(1-cyclohexylpyrazole-4-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 97069985
(2S)-3,3-dimethyl-2-[(1-methylpyrazole-4-carbonyl)amino]butanoic acid
CID 61143521
1-cyclohexylpyrazole-4-carbonyl chloride
CID 83814222
1-(1-cyclobutylpyrazol-4-yl)-2-methylpropan-1-one
CID 83878117
N-(1-azabicyclo[2.2.2]octan-3-yl)-1-cyclohexylpyrazole-4-carboxamide
CID 74766888
(2S)-3,3-dimethyl-2-(1H-pyrazole-4-carbonylamino)butanoic acid
CID 61144659
1-[(1R,2R)-2-hydroxycyclohexyl]pyrazole-4-carboxylic acid
CID 94560602
(2S)-2-(cycloheptylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 61196717
1-cyclohexyl-N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]pyrazole-4-carboxamide
CID 166306826
(2R)-3,3-dimethyl-2-[(1-methylpyrazol-4-yl)carbamoylamino]butanoic acid
CID 103927622
3,3-dimethyl-2-[(1-methylpyrazol-4-yl)carbamoylamino]butanoic acid
CID 61198123
1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazole-4-carboxylic acid
CID 155895758

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1-cyclohexylpyrazole-4-carbonyl)amino]-3,3-dimethylbutanoic acid?
The IUPAC name of (2R)-2-[(1-cyclohexylpyrazole-4-carbonyl)amino]-3,3-dimethylbutanoic acid (CID 97069986) is (2R)-2-[(1-cyclohexylpyrazole-4-carbonyl)amino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for (2R)-2-[(1-cyclohexylpyrazole-4-carbonyl)amino]-3,3-dimethylbutanoic acid?
The canonical SMILES for (2R)-2-[(1-cyclohexylpyrazole-4-carbonyl)amino]-3,3-dimethylbutanoic acid is CC(C)(C)[C@@H](NC(=O)c1cnn(C2CCCCC2)c1)C(=O)O.
What is the InChIKey of (2R)-2-[(1-cyclohexylpyrazole-4-carbonyl)amino]-3,3-dimethylbutanoic acid?
The InChIKey is CDGIVBGYDMKIBR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-16(2,3)13(15(21)22)18-14(20)11-9-17-19(10-11)12-7-5-4-6-8-12/h9-10,12-13H,4-8H2,1-3H3,(H,18,20)(H,21,22)/t13-/m0/s1.
What are the key properties of (2R)-2-[(1-cyclohexylpyrazole-4-carbonyl)amino]-3,3-dimethylbutanoic acid?
(2R)-2-[(1-cyclohexylpyrazole-4-carbonyl)amino]-3,3-dimethylbutanoic acid has a molecular weight of 307.39 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1-cyclohexylpyrazole-4-carbonyl)amino]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 97069986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).