3-[[cyclopentyl(methyl)carbamoyl]amino]-2-methylpropanoic acid

C11H20N2O3 — CID 62669199

IUPAC3-[[cyclopentyl(methyl)carbamoyl]amino]-2-methylpropanoic acid
SMILESCC(CNC(=O)N(C)C1CCCC1)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-8(10(14)15)7-12-11(16)13(2)9-5-3-4-6-9/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyDGCQGQZGRNVOHV-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.29
Rot. Bonds4

About 3-[[cyclopentyl(methyl)carbamoyl]amino]-2-methylpropanoic acid

3-[[cyclopentyl(methyl)carbamoyl]amino]-2-methylpropanoic acid (PubChem CID 62669199) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-[[cyclopentyl(methyl)carbamoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[cyclopentyl(methyl)carbamoyl]amino]-2-methylpropanoic acid
PubChem CID62669199
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name3-[[cyclopentyl(methyl)carbamoyl]amino]-2-methylpropanoic acid
SMILESCC(CNC(=O)N(C)C1CCCC1)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-8(10(14)15)7-12-11(16)13(2)9-5-3-4-6-9/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyDGCQGQZGRNVOHV-UHFFFAOYSA-N
XLogP1.29
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 ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[[cyclopentyl(methyl)carbamoyl]amino]-2-methylpropanoic 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-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-2-methylpropanoic acid
CID 102865494
3-(2-aminoethyl)-1-cycloheptyl-1-methylurea
CID 82508731
(2R)-2-[[cyclohexyl(methyl)carbamoyl]amino]propanoic acid
CID 78972171
2-[[cycloheptyl(methyl)carbamoyl]amino]butanoic acid
CID 61201094
3-methyl-2-[[[methyl-(4-methylcyclohexyl)carbamoyl]amino]methyl]butanoic acid
CID 65223197
2-methyl-4-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]butanoic acid
CID 80541792
1-cyclopentyl-1-methyl-3-propylurea
CID 115575080
(2R)-2-[[cyclopentyl(methyl)carbamoyl]amino]pentanoic acid
CID 107566149
1-cycloheptyl-3-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-methylurea
CID 95967578
2-[[cyclopentyl(methyl)carbamoyl]amino]pentanedioic acid
CID 61194163
2-[[cycloheptyl(methyl)carbamoyl]amino]pentanoic acid
CID 61201099
3-[cycloheptyl(methyl)amino]-2-methyl-3-oxopropanoic acid
CID 114897396

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopentyl(methyl)carbamoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[[cyclopentyl(methyl)carbamoyl]amino]-2-methylpropanoic acid (CID 62669199) is 3-[[cyclopentyl(methyl)carbamoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[cyclopentyl(methyl)carbamoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[cyclopentyl(methyl)carbamoyl]amino]-2-methylpropanoic acid is CC(CNC(=O)N(C)C1CCCC1)C(=O)O.
What is the InChIKey of 3-[[cyclopentyl(methyl)carbamoyl]amino]-2-methylpropanoic acid?
The InChIKey is DGCQGQZGRNVOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-8(10(14)15)7-12-11(16)13(2)9-5-3-4-6-9/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15).
What are the key properties of 3-[[cyclopentyl(methyl)carbamoyl]amino]-2-methylpropanoic acid?
3-[[cyclopentyl(methyl)carbamoyl]amino]-2-methylpropanoic acid has a molecular weight of 228.29 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopentyl(methyl)carbamoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 62669199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).