3-[methyl-[(1-methylcyclopentyl)carbamoyl]amino]propanoic acid

C11H20N2O3 — CID 64688064

IUPAC3-[methyl-[(1-methylcyclopentyl)carbamoyl]amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)NC1(C)CCCC1
InChIInChI=1S/C11H20N2O3/c1-11(6-3-4-7-11)12-10(16)13(2)8-5-9(14)15/h3-8H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyRVBNMABPBDYDPO-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.44
Rot. Bonds4

About 3-[methyl-[(1-methylcyclopentyl)carbamoyl]amino]propanoic acid

3-[methyl-[(1-methylcyclopentyl)carbamoyl]amino]propanoic acid (PubChem CID 64688064) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-[methyl-[(1-methylcyclopentyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-[(1-methylcyclopentyl)carbamoyl]amino]propanoic acid
PubChem CID64688064
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name3-[methyl-[(1-methylcyclopentyl)carbamoyl]amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)NC1(C)CCCC1
InChIInChI=1S/C11H20N2O3/c1-11(6-3-4-7-11)12-10(16)13(2)8-5-9(14)15/h3-8H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyRVBNMABPBDYDPO-UHFFFAOYSA-N
XLogP1.44
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[methyl-[(1-methylcyclopentyl)carbamoyl]amino]propanoic 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 3-[methyl-[(1-methylcyclopentyl)carbamoyl]amino]propanoic acid?
The IUPAC name of 3-[methyl-[(1-methylcyclopentyl)carbamoyl]amino]propanoic acid (CID 64688064) is 3-[methyl-[(1-methylcyclopentyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[methyl-[(1-methylcyclopentyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[methyl-[(1-methylcyclopentyl)carbamoyl]amino]propanoic acid is CN(CCC(=O)O)C(=O)NC1(C)CCCC1.
What is the InChIKey of 3-[methyl-[(1-methylcyclopentyl)carbamoyl]amino]propanoic acid?
The InChIKey is RVBNMABPBDYDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-11(6-3-4-7-11)12-10(16)13(2)8-5-9(14)15/h3-8H2,1-2H3,(H,12,16)(H,14,15).
What are the key properties of 3-[methyl-[(1-methylcyclopentyl)carbamoyl]amino]propanoic acid?
3-[methyl-[(1-methylcyclopentyl)carbamoyl]amino]propanoic acid has a molecular weight of 228.29 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[(1-methylcyclopentyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 64688064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).