methyl 2-[[(1S)-1-cyclopentylethyl]amino]propanoate

C11H21NO2 — CID 81386105

IUPACmethyl 2-[[(1S)-1-cyclopentylethyl]amino]propanoate
SMILESCOC(=O)C(C)N[C@@H](C)C1CCCC1
InChIInChI=1S/C11H21NO2/c1-8(10-6-4-5-7-10)12-9(2)11(13)14-3/h8-10,12H,4-7H2,1-3H3/t8-,9?/m0/s1
InChIKeyAHUGDFBCUOKBRC-IENPIDJESA-N
MW199.29 g/mol
LogP1.72
Rot. Bonds4

About methyl 2-[[(1S)-1-cyclopentylethyl]amino]propanoate

methyl 2-[[(1S)-1-cyclopentylethyl]amino]propanoate (PubChem CID 81386105) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is methyl 2-[[(1S)-1-cyclopentylethyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[[(1S)-1-cyclopentylethyl]amino]propanoate
PubChem CID81386105
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namemethyl 2-[[(1S)-1-cyclopentylethyl]amino]propanoate
SMILESCOC(=O)C(C)N[C@@H](C)C1CCCC1
InChIInChI=1S/C11H21NO2/c1-8(10-6-4-5-7-10)12-9(2)11(13)14-3/h8-10,12H,4-7H2,1-3H3/t8-,9?/m0/s1
InChIKeyAHUGDFBCUOKBRC-IENPIDJESA-N
XLogP1.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-[[(1S)-1-cyclopentylethyl]amino]propanoate 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

ethyl 2-[[(1S)-1-cyclopentylethyl]amino]propanoate
CID 81393902
N-carbamoyl-2-[[(1R)-1-cyclopentylethyl]amino]propanamide
CID 81394882
N-carbamoyl-2-(1-cyclohexylethylamino)propanamide
CID 62405397
N-carbamoyl-2-[[(1R)-1-cycloheptylethyl]amino]propanamide
CID 81391633
ethyl 2-(1-cyclobutylethylamino)propanoate
CID 115766406
N-carbamoyl-2-(1-cyclobutylethylamino)propanamide
CID 115766420
methyl 2-[1-(oxolan-3-yl)ethylamino]propanoate
CID 115660027
methyl 2-[[(1S)-1-cycloheptylethyl]amino]butanoate
CID 115353551
methyl (2R,3R)-2-[[(1R)-1-cyclobutylethyl]amino]-3-hydroxybutanoate
CID 99837528
N-cyclohexyl-2-[[(1S)-1-cyclohexylethyl]amino]propanamide
CID 81384329
2-[[(1S)-1-cyclohexylethyl]amino]-N-methylpropanamide
CID 81384429
N-cyclohexyl-2-[[(1R)-1-cyclohexylethyl]amino]propanamide
CID 81384882

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(1S)-1-cyclopentylethyl]amino]propanoate?
The IUPAC name of methyl 2-[[(1S)-1-cyclopentylethyl]amino]propanoate (CID 81386105) is methyl 2-[[(1S)-1-cyclopentylethyl]amino]propanoate.
What is the SMILES notation for methyl 2-[[(1S)-1-cyclopentylethyl]amino]propanoate?
The canonical SMILES for methyl 2-[[(1S)-1-cyclopentylethyl]amino]propanoate is COC(=O)C(C)N[C@@H](C)C1CCCC1.
What is the InChIKey of methyl 2-[[(1S)-1-cyclopentylethyl]amino]propanoate?
The InChIKey is AHUGDFBCUOKBRC-IENPIDJESA-N. The full InChI is InChI=1S/C11H21NO2/c1-8(10-6-4-5-7-10)12-9(2)11(13)14-3/h8-10,12H,4-7H2,1-3H3/t8-,9?/m0/s1.
What are the key properties of methyl 2-[[(1S)-1-cyclopentylethyl]amino]propanoate?
methyl 2-[[(1S)-1-cyclopentylethyl]amino]propanoate has a molecular weight of 199.29 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(1S)-1-cyclopentylethyl]amino]propanoate is sourced from PubChem (CID 81386105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).