(2S)-2-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-phenylpropanamide

C17H27N3O — CID 81494200

IUPAC(2S)-2-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-phenylpropanamide
SMILESCN(C)C1(CNC(=O)[C@@H](N)Cc2ccccc2)CCCC1
InChIInChI=1S/C17H27N3O/c1-20(2)17(10-6-7-11-17)13-19-16(21)15(18)12-14-8-4-3-5-9-14/h3-5,8-9,15H,6-7,10-13,18H2,1-2H3,(H,19,21)/t15-/m0/s1
InChIKeyWFRVZEONBOAEJJ-HNNXBMFYSA-N
MW289.42 g/mol
LogP1.55
Rot. Bonds6

About (2S)-2-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-phenylpropanamide

(2S)-2-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-phenylpropanamide (PubChem CID 81494200) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is (2S)-2-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-phenylpropanamide
PubChem CID81494200
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name(2S)-2-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-phenylpropanamide
SMILESCN(C)C1(CNC(=O)[C@@H](N)Cc2ccccc2)CCCC1
InChIInChI=1S/C17H27N3O/c1-20(2)17(10-6-7-11-17)13-19-16(21)15(18)12-14-8-4-3-5-9-14/h3-5,8-9,15H,6-7,10-13,18H2,1-2H3,(H,19,21)/t15-/m0/s1
InChIKeyWFRVZEONBOAEJJ-HNNXBMFYSA-N
XLogP1.55
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[(1-hydroxycyclohexyl)methyl]-3-phenylpropanamide
CID 79004655
(2S)-2-amino-N-[(1-methylcyclobutyl)methyl]-3-phenylpropanamide
CID 103797671
(2R)-2-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-phenylpropanamide
CID 81433594
(2S)-2-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-phenylpropanamide
CID 81433068
(2S)-2-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-2-phenylacetamide
CID 104897629
2-amino-3-phenyl-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]propanamide;dihydrochloride
CID 119884525
2-[1-[[(2-amino-3-phenylpropanoyl)amino]methyl]cyclohexyl]acetic acid
CID 11507997
2-[1-[[[(2S)-2-amino-3-phenylpropanoyl]amino]methyl]cyclobutyl]acetic acid
CID 81164897
(2S)-2-amino-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3-phenylpropanamide
CID 119293561
(2R)-2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-3-phenylpropanamide
CID 81130811
N-(1-acetylcyclohexyl)-2-amino-3-phenylpropanamide
CID 20668330
2-amino-N-ethyl-3-phenylpropanamide;hydrochloride
CID 53409094

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-phenylpropanamide (CID 81494200) is (2S)-2-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-phenylpropanamide is CN(C)C1(CNC(=O)[C@@H](N)Cc2ccccc2)CCCC1.
What is the InChIKey of (2S)-2-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-phenylpropanamide?
The InChIKey is WFRVZEONBOAEJJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-20(2)17(10-6-7-11-17)13-19-16(21)15(18)12-14-8-4-3-5-9-14/h3-5,8-9,15H,6-7,10-13,18H2,1-2H3,(H,19,21)/t15-/m0/s1.
What are the key properties of (2S)-2-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-phenylpropanamide?
(2S)-2-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-phenylpropanamide has a molecular weight of 289.42 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-phenylpropanamide is sourced from PubChem (CID 81494200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).