2-methyl-6-(1H-pyrazol-4-ylmethylcarbamoylamino)heptanoic acid

C13H22N4O3 — CID 65287655

IUPAC2-methyl-6-(1H-pyrazol-4-ylmethylcarbamoylamino)heptanoic acid
SMILESCC(CCCC(C)C(=O)O)NC(=O)NCc1cn[nH]c1
InChIInChI=1S/C13H22N4O3/c1-9(12(18)19)4-3-5-10(2)17-13(20)14-6-11-7-15-16-8-11/h7-10H,3-6H2,1-2H3,(H,15,16)(H,18,19)(H2,14,17,20)
InChIKeyRLHWCJGYDCVVAY-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.49
Rot. Bonds8

About 2-methyl-6-(1H-pyrazol-4-ylmethylcarbamoylamino)heptanoic acid

2-methyl-6-(1H-pyrazol-4-ylmethylcarbamoylamino)heptanoic acid (PubChem CID 65287655) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-methyl-6-(1H-pyrazol-4-ylmethylcarbamoylamino)heptanoic acid.

Molecular Properties

Compound Name2-methyl-6-(1H-pyrazol-4-ylmethylcarbamoylamino)heptanoic acid
PubChem CID65287655
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name2-methyl-6-(1H-pyrazol-4-ylmethylcarbamoylamino)heptanoic acid
SMILESCC(CCCC(C)C(=O)O)NC(=O)NCc1cn[nH]c1
InChIInChI=1S/C13H22N4O3/c1-9(12(18)19)4-3-5-10(2)17-13(20)14-6-11-7-15-16-8-11/h7-10H,3-6H2,1-2H3,(H,15,16)(H,18,19)(H2,14,17,20)
InChIKeyRLHWCJGYDCVVAY-UHFFFAOYSA-N
XLogP1.49
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 2-methyl-6-(1H-pyrazol-4-ylmethylcarbamoylamino)heptanoic 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

3-methyl-2-(1H-pyrazol-4-ylmethylcarbamoylamino)butanoic acid
CID 54982274
2-methyl-6-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]heptanoic acid
CID 106382835
2-methyl-N-(1H-pyrazol-4-ylmethyl)butanamide
CID 60735814
2-methyl-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 60735981
2-methyl-6-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoylamino]heptanoic acid
CID 65287409
2-methyl-6-(pyridin-2-ylmethylcarbamoylamino)heptanoic acid
CID 65289685
2-methyl-4-(1H-pyrazole-4-carbonylamino)butanoic acid
CID 80538314
2-methylpropyl N-(1H-pyrazol-4-ylmethyl)carbamate
CID 61004410
N-(1H-pyrazol-4-ylmethyl)but-2-enamide
CID 76864423
2-(1H-pyrazol-4-ylmethylsulfamoyl)propanoic acid
CID 61458135
(2S)-2-amino-3-methyl-N-[2-oxo-2-(1H-pyrazol-4-ylmethylamino)ethyl]butanamide
CID 82962080
2-methyl-6-[(1-methylpyrazol-4-yl)methylamino]heptanoic acid
CID 65289043

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(1H-pyrazol-4-ylmethylcarbamoylamino)heptanoic acid?
The IUPAC name of 2-methyl-6-(1H-pyrazol-4-ylmethylcarbamoylamino)heptanoic acid (CID 65287655) is 2-methyl-6-(1H-pyrazol-4-ylmethylcarbamoylamino)heptanoic acid.
What is the SMILES notation for 2-methyl-6-(1H-pyrazol-4-ylmethylcarbamoylamino)heptanoic acid?
The canonical SMILES for 2-methyl-6-(1H-pyrazol-4-ylmethylcarbamoylamino)heptanoic acid is CC(CCCC(C)C(=O)O)NC(=O)NCc1cn[nH]c1.
What is the InChIKey of 2-methyl-6-(1H-pyrazol-4-ylmethylcarbamoylamino)heptanoic acid?
The InChIKey is RLHWCJGYDCVVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-9(12(18)19)4-3-5-10(2)17-13(20)14-6-11-7-15-16-8-11/h7-10H,3-6H2,1-2H3,(H,15,16)(H,18,19)(H2,14,17,20).
What are the key properties of 2-methyl-6-(1H-pyrazol-4-ylmethylcarbamoylamino)heptanoic acid?
2-methyl-6-(1H-pyrazol-4-ylmethylcarbamoylamino)heptanoic acid has a molecular weight of 282.34 g/mol, XLogP of 1.49, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(1H-pyrazol-4-ylmethylcarbamoylamino)heptanoic acid is sourced from PubChem (CID 65287655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).