(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

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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).