2-[methyl-[(1-methylpyrazol-3-yl)methylcarbamoyl]amino]propanoic acid

C10H16N4O3 — CID 82873833

IUPAC2-[methyl-[(1-methylpyrazol-3-yl)methylcarbamoyl]amino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)NCc1ccn(C)n1
InChIInChI=1S/C10H16N4O3/c1-7(9(15)16)14(3)10(17)11-6-8-4-5-13(2)12-8/h4-5,7H,6H2,1-3H3,(H,11,17)(H,15,16)
InChIKeyLPPPZVMNGVWKJA-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.03
Rot. Bonds4

About 2-[methyl-[(1-methylpyrazol-3-yl)methylcarbamoyl]amino]propanoic acid

2-[methyl-[(1-methylpyrazol-3-yl)methylcarbamoyl]amino]propanoic acid (PubChem CID 82873833) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-[methyl-[(1-methylpyrazol-3-yl)methylcarbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl-[(1-methylpyrazol-3-yl)methylcarbamoyl]amino]propanoic acid
PubChem CID82873833
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name2-[methyl-[(1-methylpyrazol-3-yl)methylcarbamoyl]amino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)NCc1ccn(C)n1
InChIInChI=1S/C10H16N4O3/c1-7(9(15)16)14(3)10(17)11-6-8-4-5-13(2)12-8/h4-5,7H,6H2,1-3H3,(H,11,17)(H,15,16)
InChIKeyLPPPZVMNGVWKJA-UHFFFAOYSA-N
XLogP0.03
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[methyl-[(1-methylpyrazol-3-yl)methylcarbamoyl]amino]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

2-[methyl-[(1-methylpyrazol-3-yl)methylcarbamoyl]amino]butanoic acid
CID 82873693
2-methyl-3-[(1-methylpyrazol-3-yl)methylamino]-3-oxopropanoic acid
CID 114898886
4-[methyl-[(1-methylpyrazol-3-yl)methylcarbamoyl]amino]butanoic acid
CID 82872604
2-ethyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide
CID 19329164
2-bromo-N-[(1-methylpyrazol-3-yl)methyl]propanamide
CID 107905639
3-methyl-2-[(1-methylpyrazol-3-yl)methylamino]butanoic acid
CID 82869167
2-methoxy-N-[(1-methylpyrazol-3-yl)methyl]propanamide
CID 115870664
4-methyl-2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]pentanoic acid
CID 82867015
(2R)-4-methyl-2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]pentanoic acid
CID 82874077
(2S)-2-amino-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide
CID 82882870
2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]butanedioic acid
CID 82874207
(2S)-2-hydroxy-4-[(1-methylpyrazol-3-yl)methylcarbamoylamino]butanoic acid
CID 114007684

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(1-methylpyrazol-3-yl)methylcarbamoyl]amino]propanoic acid?
The IUPAC name of 2-[methyl-[(1-methylpyrazol-3-yl)methylcarbamoyl]amino]propanoic acid (CID 82873833) is 2-[methyl-[(1-methylpyrazol-3-yl)methylcarbamoyl]amino]propanoic acid.
What is the SMILES notation for 2-[methyl-[(1-methylpyrazol-3-yl)methylcarbamoyl]amino]propanoic acid?
The canonical SMILES for 2-[methyl-[(1-methylpyrazol-3-yl)methylcarbamoyl]amino]propanoic acid is CC(C(=O)O)N(C)C(=O)NCc1ccn(C)n1.
What is the InChIKey of 2-[methyl-[(1-methylpyrazol-3-yl)methylcarbamoyl]amino]propanoic acid?
The InChIKey is LPPPZVMNGVWKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-7(9(15)16)14(3)10(17)11-6-8-4-5-13(2)12-8/h4-5,7H,6H2,1-3H3,(H,11,17)(H,15,16).
What are the key properties of 2-[methyl-[(1-methylpyrazol-3-yl)methylcarbamoyl]amino]propanoic acid?
2-[methyl-[(1-methylpyrazol-3-yl)methylcarbamoyl]amino]propanoic acid has a molecular weight of 240.26 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(1-methylpyrazol-3-yl)methylcarbamoyl]amino]propanoic acid is sourced from PubChem (CID 82873833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).