(2S)-2-[(1-tert-butyl-5-methylpyrazole-4-carbonyl)amino]-4-methylpentanoic acid

C15H25N3O3 — CID 119361432

IUPAC(2S)-2-[(1-tert-butyl-5-methylpyrazole-4-carbonyl)amino]-4-methylpentanoic acid
SMILESCc1c(C(=O)N[C@@H](CC(C)C)C(=O)O)cnn1C(C)(C)C
InChIInChI=1S/C15H25N3O3/c1-9(2)7-12(14(20)21)17-13(19)11-8-16-18(10(11)3)15(4,5)6/h8-9,12H,7H2,1-6H3,(H,17,19)(H,20,21)/t12-/m0/s1
InChIKeyWSNWMZQZLNMKBW-LBPRGKRZSA-N
MW295.38 g/mol
LogP2.18
Rot. Bonds5

About (2S)-2-[(1-tert-butyl-5-methylpyrazole-4-carbonyl)amino]-4-methylpentanoic acid

(2S)-2-[(1-tert-butyl-5-methylpyrazole-4-carbonyl)amino]-4-methylpentanoic acid (PubChem CID 119361432) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is (2S)-2-[(1-tert-butyl-5-methylpyrazole-4-carbonyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-[(1-tert-butyl-5-methylpyrazole-4-carbonyl)amino]-4-methylpentanoic acid
PubChem CID119361432
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name(2S)-2-[(1-tert-butyl-5-methylpyrazole-4-carbonyl)amino]-4-methylpentanoic acid
SMILESCc1c(C(=O)N[C@@H](CC(C)C)C(=O)O)cnn1C(C)(C)C
InChIInChI=1S/C15H25N3O3/c1-9(2)7-12(14(20)21)17-13(19)11-8-16-18(10(11)3)15(4,5)6/h8-9,12H,7H2,1-6H3,(H,17,19)(H,20,21)/t12-/m0/s1
InChIKeyWSNWMZQZLNMKBW-LBPRGKRZSA-N
XLogP2.18
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-4-methylpentanoic acid
CID 28777199
(2R)-2-[[1-(6-ethoxypyridazin-3-yl)-5-methylpyrazole-4-carbonyl]amino]-4-methylpentanoic acid
CID 166227456
4-methyl-2-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pentanoic acid
CID 119188230
(2R)-4-methyl-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]pentanoic acid
CID 30053503
(2R)-2-[(1,3-dimethylpyrazole-4-carbonyl)amino]-4-methylpentanoic acid
CID 96582780
2-[(2,4-dimethylpyrimidine-5-carbonyl)amino]-4-methylpentanoic acid
CID 120516086
(2S)-2-[(3,6-dichloropyridazine-4-carbonyl)amino]-4-methylpentanoic acid
CID 61136800
1-tert-butyl-N-[(2R)-2-(ethylamino)propyl]-5-methylpyrazole-4-carboxamide
CID 120654519
N-(1-amino-2-methylpropan-2-yl)-1-tert-butyl-5-methylpyrazole-4-carboxamide;hydrochloride
CID 119521515
(2S)-4-methyl-2-[(1-methylpyrazole-4-carbonyl)amino]pentanoic acid
CID 28742395
(2R)-5-amino-2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-5-oxopentanoic acid
CID 28779169
(2S)-4-methyl-2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]pentanoic acid
CID 119361650

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1-tert-butyl-5-methylpyrazole-4-carbonyl)amino]-4-methylpentanoic acid?
The IUPAC name of (2S)-2-[(1-tert-butyl-5-methylpyrazole-4-carbonyl)amino]-4-methylpentanoic acid (CID 119361432) is (2S)-2-[(1-tert-butyl-5-methylpyrazole-4-carbonyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for (2S)-2-[(1-tert-butyl-5-methylpyrazole-4-carbonyl)amino]-4-methylpentanoic acid?
The canonical SMILES for (2S)-2-[(1-tert-butyl-5-methylpyrazole-4-carbonyl)amino]-4-methylpentanoic acid is Cc1c(C(=O)N[C@@H](CC(C)C)C(=O)O)cnn1C(C)(C)C.
What is the InChIKey of (2S)-2-[(1-tert-butyl-5-methylpyrazole-4-carbonyl)amino]-4-methylpentanoic acid?
The InChIKey is WSNWMZQZLNMKBW-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-9(2)7-12(14(20)21)17-13(19)11-8-16-18(10(11)3)15(4,5)6/h8-9,12H,7H2,1-6H3,(H,17,19)(H,20,21)/t12-/m0/s1.
What are the key properties of (2S)-2-[(1-tert-butyl-5-methylpyrazole-4-carbonyl)amino]-4-methylpentanoic acid?
(2S)-2-[(1-tert-butyl-5-methylpyrazole-4-carbonyl)amino]-4-methylpentanoic acid has a molecular weight of 295.38 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1-tert-butyl-5-methylpyrazole-4-carbonyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 119361432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).