3-[[cyclopentyl(2-hydroxyethyl)carbamoyl]-methylamino]-2-methylpropanoic acid

C13H24N2O4 — CID 55007383

IUPAC3-[[cyclopentyl(2-hydroxyethyl)carbamoyl]-methylamino]-2-methylpropanoic acid
SMILESCC(CN(C)C(=O)N(CCO)C1CCCC1)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-10(12(17)18)9-14(2)13(19)15(7-8-16)11-5-3-4-6-11/h10-11,16H,3-9H2,1-2H3,(H,17,18)
InChIKeyPRDMSWJDMITBRH-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.00
Rot. Bonds6

About 3-[[cyclopentyl(2-hydroxyethyl)carbamoyl]-methylamino]-2-methylpropanoic acid

3-[[cyclopentyl(2-hydroxyethyl)carbamoyl]-methylamino]-2-methylpropanoic acid (PubChem CID 55007383) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 3-[[cyclopentyl(2-hydroxyethyl)carbamoyl]-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[cyclopentyl(2-hydroxyethyl)carbamoyl]-methylamino]-2-methylpropanoic acid
PubChem CID55007383
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name3-[[cyclopentyl(2-hydroxyethyl)carbamoyl]-methylamino]-2-methylpropanoic acid
SMILESCC(CN(C)C(=O)N(CCO)C1CCCC1)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-10(12(17)18)9-14(2)13(19)15(7-8-16)11-5-3-4-6-11/h10-11,16H,3-9H2,1-2H3,(H,17,18)
InChIKeyPRDMSWJDMITBRH-UHFFFAOYSA-N
XLogP1.00
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[cyclopentyl(2-hydroxyethyl)carbamoyl]-methylamino]-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-[cycloheptyl(2-hydroxyethyl)amino]-2-methylpropanoic acid
CID 82329620
1-cyclobutyl-3-ethyl-1-(2-hydroxyethyl)-3-methylurea
CID 102861332
3-[[cyclopentylmethyl(methyl)carbamoyl]-methylamino]-2-methylpropanoic acid
CID 63655343
5-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]-2-methylpentanoic acid
CID 104686476
3-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-2-methylpropanoic acid
CID 102865494
1-cyclopentyl-3-ethyl-3-methyl-1-(3-methylbutyl)urea
CID 116656765
3-[[cyclobutylmethyl(ethyl)carbamoyl]-methylamino]-2-methylpropanoic acid
CID 107400167
1-cyclopentyl-3,3-diethyl-1-(2-hydroxyethyl)urea
CID 79161969
3-[bicyclo[4.1.0]heptane-7-carbonyl(methyl)amino]-2-methylpropanoic acid
CID 81362050
2-methyl-3-[methyl-[methyl(piperidin-4-yl)carbamoyl]amino]propanoic acid
CID 55007180
4-[cyclopropyl(2-hydroxyethyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496341
3-[cycloheptyl(3-methylbutanoyl)amino]-2-methylpropanoic acid
CID 82324129

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopentyl(2-hydroxyethyl)carbamoyl]-methylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[[cyclopentyl(2-hydroxyethyl)carbamoyl]-methylamino]-2-methylpropanoic acid (CID 55007383) is 3-[[cyclopentyl(2-hydroxyethyl)carbamoyl]-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[cyclopentyl(2-hydroxyethyl)carbamoyl]-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[cyclopentyl(2-hydroxyethyl)carbamoyl]-methylamino]-2-methylpropanoic acid is CC(CN(C)C(=O)N(CCO)C1CCCC1)C(=O)O.
What is the InChIKey of 3-[[cyclopentyl(2-hydroxyethyl)carbamoyl]-methylamino]-2-methylpropanoic acid?
The InChIKey is PRDMSWJDMITBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-10(12(17)18)9-14(2)13(19)15(7-8-16)11-5-3-4-6-11/h10-11,16H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 3-[[cyclopentyl(2-hydroxyethyl)carbamoyl]-methylamino]-2-methylpropanoic acid?
3-[[cyclopentyl(2-hydroxyethyl)carbamoyl]-methylamino]-2-methylpropanoic acid has a molecular weight of 272.34 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopentyl(2-hydroxyethyl)carbamoyl]-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 55007383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).