(2S)-5-amino-2-(1-phenylethylamino)pentanamide

C13H21N3O — CID 141009409

IUPAC(2S)-5-amino-2-(1-phenylethylamino)pentanamide
SMILESCC(N[C@@H](CCCN)C(N)=O)c1ccccc1
InChIInChI=1S/C13H21N3O/c1-10(11-6-3-2-4-7-11)16-12(13(15)17)8-5-9-14/h2-4,6-7,10,12,16H,5,8-9,14H2,1H3,(H2,15,17)/t10?,12-/m0/s1
InChIKeyJDSYHEYLIDDLIY-KFJBMODSSA-N
MW235.33 g/mol
LogP0.93
Rot. Bonds7

About (2S)-5-amino-2-(1-phenylethylamino)pentanamide

(2S)-5-amino-2-(1-phenylethylamino)pentanamide (PubChem CID 141009409) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is (2S)-5-amino-2-(1-phenylethylamino)pentanamide.

Molecular Properties

Compound Name(2S)-5-amino-2-(1-phenylethylamino)pentanamide
PubChem CID141009409
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name(2S)-5-amino-2-(1-phenylethylamino)pentanamide
SMILESCC(N[C@@H](CCCN)C(N)=O)c1ccccc1
InChIInChI=1S/C13H21N3O/c1-10(11-6-3-2-4-7-11)16-12(13(15)17)8-5-9-14/h2-4,6-7,10,12,16H,5,8-9,14H2,1H3,(H2,15,17)/t10?,12-/m0/s1
InChIKeyJDSYHEYLIDDLIY-KFJBMODSSA-N
XLogP0.93
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-5-amino-2-(1-phenylethylamino)pentanamide 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

(2S)-5-amino-2-[1-(4-phenoxyphenyl)ethylamino]pentanamide;hydrochloride
CID 141009399
2-(1-phenylethylamino)butanamide
CID 62899453
5-amino-2-(1-naphthalen-1-ylethylamino)pentanamide
CID 174409746
methane;(2R)-5,5,5-trifluoro-2-[[(1R)-1-phenylethyl]amino]pentanamide;5,5,5-trifluoro-2-[[(1R)-1-phenylethyl]amino]pentanamide;hydrochloride
CID 159943612
3-methoxy-2-(1-phenylethylamino)propanamide
CID 115774804
(2R)-2-phenyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 33398197
(2R)-3-fluoro-2-(1-phenylethylamino)propanoic acid
CID 71360379
3-hydroxy-2-(1-phenylethylamino)propanoic acid
CID 15922108
ethyl (2S)-2-[[(1S)-1-phenylethyl]amino]butanoate
CID 101344394
tert-butyl (2S)-5-amino-2-(benzhydrylamino)pentanoate
CID 11772629
benzyl N-[N'-[(4R)-5-amino-4-[[(1R)-1-(4-hydroxyphenyl)ethyl]amino]-5-oxopentyl]-N-phenylmethoxycarbonylcarbamimidoyl]carbamate
CID 70140048
2-[1-(4-phenylphenyl)ethylamino]propanamide
CID 43398020

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-(1-phenylethylamino)pentanamide?
The IUPAC name of (2S)-5-amino-2-(1-phenylethylamino)pentanamide (CID 141009409) is (2S)-5-amino-2-(1-phenylethylamino)pentanamide.
What is the SMILES notation for (2S)-5-amino-2-(1-phenylethylamino)pentanamide?
The canonical SMILES for (2S)-5-amino-2-(1-phenylethylamino)pentanamide is CC(N[C@@H](CCCN)C(N)=O)c1ccccc1.
What is the InChIKey of (2S)-5-amino-2-(1-phenylethylamino)pentanamide?
The InChIKey is JDSYHEYLIDDLIY-KFJBMODSSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10(11-6-3-2-4-7-11)16-12(13(15)17)8-5-9-14/h2-4,6-7,10,12,16H,5,8-9,14H2,1H3,(H2,15,17)/t10?,12-/m0/s1.
What are the key properties of (2S)-5-amino-2-(1-phenylethylamino)pentanamide?
(2S)-5-amino-2-(1-phenylethylamino)pentanamide has a molecular weight of 235.33 g/mol, XLogP of 0.93, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-(1-phenylethylamino)pentanamide is sourced from PubChem (CID 141009409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).