2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]butanoic acid

C10H16N4O3 — CID 54982514

IUPAC2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]butanoic acid
SMILESCCC(NC(=O)NCc1cn[nH]c1C)C(=O)O
InChIInChI=1S/C10H16N4O3/c1-3-8(9(15)16)13-10(17)11-4-7-5-12-14-6(7)2/h5,8H,3-4H2,1-2H3,(H,12,14)(H,15,16)(H2,11,13,17)
InChIKeyLTTYZJROOMPFEI-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.38
Rot. Bonds5

About 2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]butanoic acid

2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]butanoic acid (PubChem CID 54982514) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]butanoic acid.

Molecular Properties

Compound Name2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]butanoic acid
PubChem CID54982514
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]butanoic acid
SMILESCCC(NC(=O)NCc1cn[nH]c1C)C(=O)O
InChIInChI=1S/C10H16N4O3/c1-3-8(9(15)16)13-10(17)11-4-7-5-12-14-6(7)2/h5,8H,3-4H2,1-2H3,(H,12,14)(H,15,16)(H2,11,13,17)
InChIKeyLTTYZJROOMPFEI-UHFFFAOYSA-N
XLogP0.38
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]butanoic 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

2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266735
3,3,3-trifluoro-2-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]propanoic acid
CID 79801201
2-[1-(1H-pyrazol-4-yl)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 104004534
3,3,3-trifluoro-2-methyl-2-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]propanoic acid
CID 106215476
2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetic acid
CID 43663721
methyl (2S)-3-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]butanoate
CID 43663745
methyl (2S)-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanoate
CID 43723769
2-(carbamoylamino)-4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentanamide
CID 54896475
2-(carbamoylamino)-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentanamide
CID 54896664
2-(carbamoylamino)-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide
CID 54896710
6-[(5-methyl-1H-pyrazol-4-yl)methylamino]-6-oxohexanoic acid
CID 54896892
ethyl 2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]acetate
CID 54948839

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]butanoic acid?
The IUPAC name of 2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]butanoic acid (CID 54982514) is 2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]butanoic acid.
What is the SMILES notation for 2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]butanoic acid?
The canonical SMILES for 2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]butanoic acid is CCC(NC(=O)NCc1cn[nH]c1C)C(=O)O.
What is the InChIKey of 2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]butanoic acid?
The InChIKey is LTTYZJROOMPFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-3-8(9(15)16)13-10(17)11-4-7-5-12-14-6(7)2/h5,8H,3-4H2,1-2H3,(H,12,14)(H,15,16)(H2,11,13,17).
What are the key properties of 2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]butanoic acid?
2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]butanoic acid has a molecular weight of 240.26 g/mol, XLogP of 0.38, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]butanoic acid is sourced from PubChem (CID 54982514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).