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

C13H22N4O3 — CID 103009670

IUPAC4-methyl-3-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]pentanoic acid
SMILESCC(C)C(CC(=O)O)NC(=O)NCCc1ccnn1C
InChIInChI=1S/C13H22N4O3/c1-9(2)11(8-12(18)19)16-13(20)14-6-4-10-5-7-15-17(10)3/h5,7,9,11H,4,6,8H2,1-3H3,(H,18,19)(H2,14,16,20)
InChIKeyRBUQIRCLMWZZKH-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.76
Rot. Bonds7

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

4-methyl-3-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]pentanoic acid (PubChem CID 103009670) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-methyl-3-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-3-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]pentanoic acid
PubChem CID103009670
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name4-methyl-3-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]pentanoic acid
SMILESCC(C)C(CC(=O)O)NC(=O)NCCc1ccnn1C
InChIInChI=1S/C13H22N4O3/c1-9(2)11(8-12(18)19)16-13(20)14-6-4-10-5-7-15-17(10)3/h5,7,9,11H,4,6,8H2,1-3H3,(H,18,19)(H2,14,16,20)
InChIKeyRBUQIRCLMWZZKH-UHFFFAOYSA-N
XLogP0.76
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-methyl-3-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]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

Related Compounds

1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propan-2-ylurea
CID 104693386
(2R)-2-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]butanedioic acid
CID 103009311
(2S)-3-hydroxy-2-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]propanoic acid
CID 103009431
1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 104693382
4-methyl-5-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]pentanoic acid
CID 103009666
(2R)-5-amino-2-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]-5-oxopentanoic acid
CID 107831193
N-[2-(2-methylpyrazol-3-yl)ethyl]-3-(propan-2-ylamino)propanamide
CID 103006710
3-chloro-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide
CID 103005493
2-[2-[2-(2-methylpyrazol-3-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 103004667
6-[2-(2-methylpyrazol-3-yl)ethylamino]-6-oxohexanoic acid
CID 103004649
2-[2-(2-methylpyrazol-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 103000916
2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pentan-3-amine
CID 104694997

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]pentanoic acid?
The IUPAC name of 4-methyl-3-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]pentanoic acid (CID 103009670) is 4-methyl-3-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]pentanoic acid.
What is the SMILES notation for 4-methyl-3-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]pentanoic acid?
The canonical SMILES for 4-methyl-3-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]pentanoic acid is CC(C)C(CC(=O)O)NC(=O)NCCc1ccnn1C.
What is the InChIKey of 4-methyl-3-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]pentanoic acid?
The InChIKey is RBUQIRCLMWZZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-9(2)11(8-12(18)19)16-13(20)14-6-4-10-5-7-15-17(10)3/h5,7,9,11H,4,6,8H2,1-3H3,(H,18,19)(H2,14,16,20).
What are the key properties of 4-methyl-3-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]pentanoic acid?
4-methyl-3-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]pentanoic acid has a molecular weight of 282.34 g/mol, XLogP of 0.76, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]pentanoic acid is sourced from PubChem (CID 103009670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).