2-(1-cyclopentylethylamino)-3-methoxypropanoic acid

C11H21NO3 — CID 103251911

IUPAC2-(1-cyclopentylethylamino)-3-methoxypropanoic acid
SMILESCOCC(NC(C)C1CCCC1)C(=O)O
InChIInChI=1S/C11H21NO3/c1-8(9-5-3-4-6-9)12-10(7-15-2)11(13)14/h8-10,12H,3-7H2,1-2H3,(H,13,14)
InChIKeyPNQBBYUJTYHIAC-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.25
Rot. Bonds6

About 2-(1-cyclopentylethylamino)-3-methoxypropanoic acid

2-(1-cyclopentylethylamino)-3-methoxypropanoic acid (PubChem CID 103251911) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-(1-cyclopentylethylamino)-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-(1-cyclopentylethylamino)-3-methoxypropanoic acid
PubChem CID103251911
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-(1-cyclopentylethylamino)-3-methoxypropanoic acid
SMILESCOCC(NC(C)C1CCCC1)C(=O)O
InChIInChI=1S/C11H21NO3/c1-8(9-5-3-4-6-9)12-10(7-15-2)11(13)14/h8-10,12H,3-7H2,1-2H3,(H,13,14)
InChIKeyPNQBBYUJTYHIAC-UHFFFAOYSA-N
XLogP1.25
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(1-cyclopentylethylamino)-3-methoxypropanoic 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

2-(1-cyclopentylethylamino)butanoic acid
CID 64667783
2-[[(1S)-1-cycloheptylethyl]amino]butanoic acid
CID 81392114
2-[[(1R)-1-cycloheptylethyl]amino]butanoic acid
CID 81392766
N-[(1S)-1-cyclopentylethyl]-1-methoxypropan-2-amine
CID 81385867
methyl 2-[[(1S)-1-cycloheptylethyl]amino]butanoate
CID 115353551
2-[[(1S)-1-cyclohexylethyl]amino]-N-(2-methoxyethyl)propanamide
CID 81384699
2-(cyclopentylmethylamino)-3-methoxypropanoic acid
CID 103237734
2-[[(1S)-1-cyclopentylethyl]amino]-N-(3-methoxypropyl)propanamide
CID 81395208
2-[[(1R)-1-cyclopentylethyl]amino]-N-(3-methoxypropyl)propanamide
CID 81394890
N-[(1S)-1-cyclopentylethyl]-1-cyclopropyl-2-methoxyethanamine
CID 81386494
2-(cyclopropylamino)-3-methoxypropanoic acid;hydrochloride
CID 75493650
2-(cycloheptanecarbonylamino)-3-methoxypropanoic acid
CID 81077203

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentylethylamino)-3-methoxypropanoic acid?
The IUPAC name of 2-(1-cyclopentylethylamino)-3-methoxypropanoic acid (CID 103251911) is 2-(1-cyclopentylethylamino)-3-methoxypropanoic acid.
What is the SMILES notation for 2-(1-cyclopentylethylamino)-3-methoxypropanoic acid?
The canonical SMILES for 2-(1-cyclopentylethylamino)-3-methoxypropanoic acid is COCC(NC(C)C1CCCC1)C(=O)O.
What is the InChIKey of 2-(1-cyclopentylethylamino)-3-methoxypropanoic acid?
The InChIKey is PNQBBYUJTYHIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-8(9-5-3-4-6-9)12-10(7-15-2)11(13)14/h8-10,12H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 2-(1-cyclopentylethylamino)-3-methoxypropanoic acid?
2-(1-cyclopentylethylamino)-3-methoxypropanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentylethylamino)-3-methoxypropanoic acid is sourced from PubChem (CID 103251911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).