3-[(2-cyclopentyl-2-methylpropanoyl)-methylamino]propanoic acid

C13H23NO3 — CID 120524978

IUPAC3-[(2-cyclopentyl-2-methylpropanoyl)-methylamino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)C(C)(C)C1CCCC1
InChIInChI=1S/C13H23NO3/c1-13(2,10-6-4-5-7-10)12(17)14(3)9-8-11(15)16/h10H,4-9H2,1-3H3,(H,15,16)
InChIKeyDMNYANKCRISBES-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.14
Rot. Bonds5

About 3-[(2-cyclopentyl-2-methylpropanoyl)-methylamino]propanoic acid

3-[(2-cyclopentyl-2-methylpropanoyl)-methylamino]propanoic acid (PubChem CID 120524978) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-[(2-cyclopentyl-2-methylpropanoyl)-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[(2-cyclopentyl-2-methylpropanoyl)-methylamino]propanoic acid
PubChem CID120524978
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name3-[(2-cyclopentyl-2-methylpropanoyl)-methylamino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)C(C)(C)C1CCCC1
InChIInChI=1S/C13H23NO3/c1-13(2,10-6-4-5-7-10)12(17)14(3)9-8-11(15)16/h10H,4-9H2,1-3H3,(H,15,16)
InChIKeyDMNYANKCRISBES-UHFFFAOYSA-N
XLogP2.14
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(2-cyclopentyl-2-methylpropanoyl)-methylamino]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

Related Compounds

3-[2-cyclopentylethyl(methyl)amino]propanoic acid
CID 115218342
3-[(2-cycloheptylacetyl)-methylamino]propanoic acid
CID 115736297
2-[(2-cyclopentyl-2-methylpropanoyl)-ethylamino]acetic acid
CID 120519682
3-[tert-butyl-(2-methyl-2-piperidin-3-ylpropanoyl)amino]propanoic acid
CID 83198568
2-[methyl-(2-methyl-2-piperidin-3-ylpropanoyl)amino]acetic acid
CID 83199032
3-[2-cyclopentylethyl(methyl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 115164079
3-[4-cyclohexylbutan-2-ylcarbamoyl(methyl)amino]propanoic acid
CID 122002482
6-[(2-cyclopentyl-2-methylpropanoyl)amino]hexanoic acid
CID 120522460
3-[2-(cyclopentylmethoxy)ethylcarbamoyl-methylamino]propanoic acid
CID 122017077
3-[cyclododecyl(methyl)amino]propanoic acid
CID 65063573
3-[tert-butyl-[cyclopentyl(methyl)carbamoyl]amino]propanoic acid
CID 61194347
N-(2-cyclohexylethyl)-N,2-dimethyl-2-(methylamino)propanamide
CID 115165847

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclopentyl-2-methylpropanoyl)-methylamino]propanoic acid?
The IUPAC name of 3-[(2-cyclopentyl-2-methylpropanoyl)-methylamino]propanoic acid (CID 120524978) is 3-[(2-cyclopentyl-2-methylpropanoyl)-methylamino]propanoic acid.
What is the SMILES notation for 3-[(2-cyclopentyl-2-methylpropanoyl)-methylamino]propanoic acid?
The canonical SMILES for 3-[(2-cyclopentyl-2-methylpropanoyl)-methylamino]propanoic acid is CN(CCC(=O)O)C(=O)C(C)(C)C1CCCC1.
What is the InChIKey of 3-[(2-cyclopentyl-2-methylpropanoyl)-methylamino]propanoic acid?
The InChIKey is DMNYANKCRISBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-13(2,10-6-4-5-7-10)12(17)14(3)9-8-11(15)16/h10H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 3-[(2-cyclopentyl-2-methylpropanoyl)-methylamino]propanoic acid?
3-[(2-cyclopentyl-2-methylpropanoyl)-methylamino]propanoic acid has a molecular weight of 241.33 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclopentyl-2-methylpropanoyl)-methylamino]propanoic acid is sourced from PubChem (CID 120524978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).