3-[(2-methylpyrazol-3-yl)methylcarbamoylamino]propanoic acid

C9H14N4O3 — CID 63303802

IUPAC3-[(2-methylpyrazol-3-yl)methylcarbamoylamino]propanoic acid
SMILESCn1nccc1CNC(=O)NCCC(=O)O
InChIInChI=1S/C9H14N4O3/c1-13-7(2-5-12-13)6-11-9(16)10-4-3-8(14)15/h2,5H,3-4,6H2,1H3,(H,14,15)(H2,10,11,16)
InChIKeyBHEAIBYUMYFUGS-UHFFFAOYSA-N
MW226.24 g/mol
LogP-0.31
Rot. Bonds5

About 3-[(2-methylpyrazol-3-yl)methylcarbamoylamino]propanoic acid

3-[(2-methylpyrazol-3-yl)methylcarbamoylamino]propanoic acid (PubChem CID 63303802) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is 3-[(2-methylpyrazol-3-yl)methylcarbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-[(2-methylpyrazol-3-yl)methylcarbamoylamino]propanoic acid
PubChem CID63303802
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Name3-[(2-methylpyrazol-3-yl)methylcarbamoylamino]propanoic acid
SMILESCn1nccc1CNC(=O)NCCC(=O)O
InChIInChI=1S/C9H14N4O3/c1-13-7(2-5-12-13)6-11-9(16)10-4-3-8(14)15/h2,5H,3-4,6H2,1H3,(H,14,15)(H2,10,11,16)
InChIKeyBHEAIBYUMYFUGS-UHFFFAOYSA-N
XLogP-0.31
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[(2-methylpyrazol-3-yl)methylcarbamoylamino]propanoic 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

3-[(2-methylpyrazol-3-yl)methylamino]propanoic acid
CID 43663377
5-[(2-methylpyrazol-3-yl)methylcarbamoylamino]hexanoic acid
CID 82848263
3-methyl-4-[(2-methylpyrazol-3-yl)methylcarbamoylamino]butanoic acid
CID 81069445
1-methoxy-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 131154196
N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19292671
2-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]propanoic acid
CID 63303675
4-methyl-5-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]pentanoic acid
CID 103009666
1-[(1-hydroxycyclohexyl)methyl]-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 110936584
3,6-dimethyl-2-[(2-methylpyrazol-3-yl)methylcarbamoyl]benzoic acid
CID 103429066
2-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]butanoic acid
CID 79801072
2-amino-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 63302579
1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 104693382

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpyrazol-3-yl)methylcarbamoylamino]propanoic acid?
The IUPAC name of 3-[(2-methylpyrazol-3-yl)methylcarbamoylamino]propanoic acid (CID 63303802) is 3-[(2-methylpyrazol-3-yl)methylcarbamoylamino]propanoic acid.
What is the SMILES notation for 3-[(2-methylpyrazol-3-yl)methylcarbamoylamino]propanoic acid?
The canonical SMILES for 3-[(2-methylpyrazol-3-yl)methylcarbamoylamino]propanoic acid is Cn1nccc1CNC(=O)NCCC(=O)O.
What is the InChIKey of 3-[(2-methylpyrazol-3-yl)methylcarbamoylamino]propanoic acid?
The InChIKey is BHEAIBYUMYFUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c1-13-7(2-5-12-13)6-11-9(16)10-4-3-8(14)15/h2,5H,3-4,6H2,1H3,(H,14,15)(H2,10,11,16).
What are the key properties of 3-[(2-methylpyrazol-3-yl)methylcarbamoylamino]propanoic acid?
3-[(2-methylpyrazol-3-yl)methylcarbamoylamino]propanoic acid has a molecular weight of 226.24 g/mol, XLogP of -0.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpyrazol-3-yl)methylcarbamoylamino]propanoic acid is sourced from PubChem (CID 63303802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).