2-[(1-methylpyrazol-3-yl)carbamoyl-propylamino]acetic acid

C10H16N4O3 — CID 61203959

IUPAC2-[(1-methylpyrazol-3-yl)carbamoyl-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)Nc1ccn(C)n1
InChIInChI=1S/C10H16N4O3/c1-3-5-14(7-9(15)16)10(17)11-8-4-6-13(2)12-8/h4,6H,3,5,7H2,1-2H3,(H,15,16)(H,11,12,17)
InChIKeyHIYRBMGYNUVCHB-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.75
Rot. Bonds5

About 2-[(1-methylpyrazol-3-yl)carbamoyl-propylamino]acetic acid

2-[(1-methylpyrazol-3-yl)carbamoyl-propylamino]acetic acid (PubChem CID 61203959) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-[(1-methylpyrazol-3-yl)carbamoyl-propylamino]acetic acid.

Molecular Properties

Compound Name2-[(1-methylpyrazol-3-yl)carbamoyl-propylamino]acetic acid
PubChem CID61203959
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name2-[(1-methylpyrazol-3-yl)carbamoyl-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)Nc1ccn(C)n1
InChIInChI=1S/C10H16N4O3/c1-3-5-14(7-9(15)16)10(17)11-8-4-6-13(2)12-8/h4,6H,3,5,7H2,1-2H3,(H,15,16)(H,11,12,17)
InChIKeyHIYRBMGYNUVCHB-UHFFFAOYSA-N
XLogP0.75
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(1-methylpyrazol-3-yl)carbamoyl-propylamino]acetic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrazol-3-yl)carbamoyl-propylamino]acetic acid?
The IUPAC name of 2-[(1-methylpyrazol-3-yl)carbamoyl-propylamino]acetic acid (CID 61203959) is 2-[(1-methylpyrazol-3-yl)carbamoyl-propylamino]acetic acid.
What is the SMILES notation for 2-[(1-methylpyrazol-3-yl)carbamoyl-propylamino]acetic acid?
The canonical SMILES for 2-[(1-methylpyrazol-3-yl)carbamoyl-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)Nc1ccn(C)n1.
What is the InChIKey of 2-[(1-methylpyrazol-3-yl)carbamoyl-propylamino]acetic acid?
The InChIKey is HIYRBMGYNUVCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-3-5-14(7-9(15)16)10(17)11-8-4-6-13(2)12-8/h4,6H,3,5,7H2,1-2H3,(H,15,16)(H,11,12,17).
What are the key properties of 2-[(1-methylpyrazol-3-yl)carbamoyl-propylamino]acetic acid?
2-[(1-methylpyrazol-3-yl)carbamoyl-propylamino]acetic acid has a molecular weight of 240.26 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrazol-3-yl)carbamoyl-propylamino]acetic acid is sourced from PubChem (CID 61203959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).