(2S)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-4-hydroxybutanoic acid

C10H16N4O4 — CID 114005421

IUPAC(2S)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-4-hydroxybutanoic acid
SMILESCc1n[nH]c(C)c1NC(=O)N[C@@H](CCO)C(=O)O
InChIInChI=1S/C10H16N4O4/c1-5-8(6(2)14-13-5)12-10(18)11-7(3-4-15)9(16)17/h7,15H,3-4H2,1-2H3,(H,13,14)(H,16,17)(H2,11,12,18)/t7-/m0/s1
InChIKeyBKVRDBORLVTYBF-ZETCQYMHSA-N
MW256.26 g/mol
LogP-0.02
Rot. Bonds5

About (2S)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-4-hydroxybutanoic acid

(2S)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-4-hydroxybutanoic acid (PubChem CID 114005421) has the molecular formula C10H16N4O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is (2S)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-4-hydroxybutanoic acid
PubChem CID114005421
Molecular FormulaC10H16N4O4
Molecular Weight256.26 g/mol
Exact Mass256.12
IUPAC Name(2S)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-4-hydroxybutanoic acid
SMILESCc1n[nH]c(C)c1NC(=O)N[C@@H](CCO)C(=O)O
InChIInChI=1S/C10H16N4O4/c1-5-8(6(2)14-13-5)12-10(18)11-7(3-4-15)9(16)17/h7,15H,3-4H2,1-2H3,(H,13,14)(H,16,17)(H2,11,12,18)/t7-/m0/s1
InChIKeyBKVRDBORLVTYBF-ZETCQYMHSA-N
XLogP-0.02
TPSA127.34 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-0.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-4-hydroxybutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-5-amino-2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-5-oxopentanoic acid
CID 61203190
3-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-2-methoxypropanoic acid
CID 106109747
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylbutanamide
CID 43546964
(2R)-4-hydroxy-2-(methylcarbamoylamino)butanoic acid
CID 91507162
(2R)-4-hydroxy-2-[(2-methyl-3-pyridinyl)carbamoylamino]butanoic acid
CID 114005731
(2R)-2-[(2-fluoro-6-methylphenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 107829274
(2S)-4-hydroxy-2-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]butanoic acid
CID 107825731
4-hydroxy-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]butanoic acid
CID 54982041
1-tert-butyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea
CID 43547022
2-[1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]azetidin-3-yl]propanoic acid
CID 116683852
(2R)-4-hydroxy-2-[(5-methyl-1H-1,2,4-triazole-3-carbonyl)amino]butanoic acid
CID 107822795
(2S)-2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820399

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-4-hydroxybutanoic acid?
The IUPAC name of (2S)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-4-hydroxybutanoic acid (CID 114005421) is (2S)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-4-hydroxybutanoic acid.
What is the SMILES notation for (2S)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-4-hydroxybutanoic acid?
The canonical SMILES for (2S)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-4-hydroxybutanoic acid is Cc1n[nH]c(C)c1NC(=O)N[C@@H](CCO)C(=O)O.
What is the InChIKey of (2S)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-4-hydroxybutanoic acid?
The InChIKey is BKVRDBORLVTYBF-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H16N4O4/c1-5-8(6(2)14-13-5)12-10(18)11-7(3-4-15)9(16)17/h7,15H,3-4H2,1-2H3,(H,13,14)(H,16,17)(H2,11,12,18)/t7-/m0/s1.
What are the key properties of (2S)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-4-hydroxybutanoic acid?
(2S)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-4-hydroxybutanoic acid has a molecular weight of 256.26 g/mol, XLogP of -0.02, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-4-hydroxybutanoic acid is sourced from PubChem (CID 114005421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).