2-[cyclopropylmethyl-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]amino]acetic acid

C12H18N4O3 — CID 54982229

IUPAC2-[cyclopropylmethyl-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]amino]acetic acid
SMILESCc1[nH]ncc1CNC(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C12H18N4O3/c1-8-10(5-14-15-8)4-13-12(19)16(7-11(17)18)6-9-2-3-9/h5,9H,2-4,6-7H2,1H3,(H,13,19)(H,14,15)(H,17,18)
InChIKeyVGUPOSXNAPEUGY-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.72
Rot. Bonds6

About 2-[cyclopropylmethyl-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]amino]acetic acid

2-[cyclopropylmethyl-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]amino]acetic acid (PubChem CID 54982229) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]amino]acetic acid
PubChem CID54982229
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name2-[cyclopropylmethyl-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]amino]acetic acid
SMILESCc1[nH]ncc1CNC(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C12H18N4O3/c1-8-10(5-14-15-8)4-13-12(19)16(7-11(17)18)6-9-2-3-9/h5,9H,2-4,6-7H2,1H3,(H,13,19)(H,14,15)(H,17,18)
InChIKeyVGUPOSXNAPEUGY-UHFFFAOYSA-N
XLogP0.72
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[cyclopropylmethyl-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]amino]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-[cyclopropylmethyl-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]amino]acetic acid (CID 54982229) is 2-[cyclopropylmethyl-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]amino]acetic acid is Cc1[nH]ncc1CNC(=O)N(CC(=O)O)CC1CC1.
What is the InChIKey of 2-[cyclopropylmethyl-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]amino]acetic acid?
The InChIKey is VGUPOSXNAPEUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-8-10(5-14-15-8)4-13-12(19)16(7-11(17)18)6-9-2-3-9/h5,9H,2-4,6-7H2,1H3,(H,13,19)(H,14,15)(H,17,18).
What are the key properties of 2-[cyclopropylmethyl-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]amino]acetic acid?
2-[cyclopropylmethyl-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]amino]acetic acid has a molecular weight of 266.30 g/mol, XLogP of 0.72, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 54982229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).