4-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]pentanoic acid

C12H20N4O3 — CID 55204600

IUPAC4-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]pentanoic acid
SMILESCC(C)CC(NC(=O)NCc1ccnn1C)C(=O)O
InChIInChI=1S/C12H20N4O3/c1-8(2)6-10(11(17)18)15-12(19)13-7-9-4-5-14-16(9)3/h4-5,8,10H,6-7H2,1-3H3,(H,17,18)(H2,13,15,19)
InChIKeyMYFSMWOQXDPIRI-UHFFFAOYSA-N
MW268.32 g/mol
LogP0.72
Rot. Bonds6

About 4-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]pentanoic acid

4-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]pentanoic acid (PubChem CID 55204600) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]pentanoic acid
PubChem CID55204600
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name4-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]pentanoic acid
SMILESCC(C)CC(NC(=O)NCc1ccnn1C)C(=O)O
InChIInChI=1S/C12H20N4O3/c1-8(2)6-10(11(17)18)15-12(19)13-7-9-4-5-14-16(9)3/h4-5,8,10H,6-7H2,1-3H3,(H,17,18)(H2,13,15,19)
InChIKeyMYFSMWOQXDPIRI-UHFFFAOYSA-N
XLogP0.72
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]pentanoic 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 4-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]pentanoic acid?
The IUPAC name of 4-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]pentanoic acid (CID 55204600) is 4-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]pentanoic acid?
The canonical SMILES for 4-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]pentanoic acid is CC(C)CC(NC(=O)NCc1ccnn1C)C(=O)O.
What is the InChIKey of 4-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]pentanoic acid?
The InChIKey is MYFSMWOQXDPIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-8(2)6-10(11(17)18)15-12(19)13-7-9-4-5-14-16(9)3/h4-5,8,10H,6-7H2,1-3H3,(H,17,18)(H2,13,15,19).
What are the key properties of 4-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]pentanoic acid?
4-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]pentanoic acid has a molecular weight of 268.32 g/mol, XLogP of 0.72, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]pentanoic acid is sourced from PubChem (CID 55204600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).