(2S)-5-amino-5-oxo-2-[(2-phenylacetyl)amino]pentanoate

C13H15N2O4- — CID 25200515

IUPAC(2S)-5-amino-5-oxo-2-[(2-phenylacetyl)amino]pentanoate
SMILESNC(=O)CC[C@H](NC(=O)Cc1ccccc1)C(=O)[O-]
InChIInChI=1S/C13H16N2O4/c14-11(16)7-6-10(13(18)19)15-12(17)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,14,16)(H,15,17)(H,18,19)/p-1/t10-/m0/s1
InChIKeyJFLIEFSWGNOPJJ-JTQLQIEISA-M
MW263.27 g/mol
LogP-1.27
Rot. Bonds7

About (2S)-5-amino-5-oxo-2-[(2-phenylacetyl)amino]pentanoate

(2S)-5-amino-5-oxo-2-[(2-phenylacetyl)amino]pentanoate (PubChem CID 25200515) has the molecular formula C13H15N2O4- and a molecular weight of 263.27 g/mol. Its IUPAC name is (2S)-5-amino-5-oxo-2-[(2-phenylacetyl)amino]pentanoate.

Molecular Properties

Compound Name(2S)-5-amino-5-oxo-2-[(2-phenylacetyl)amino]pentanoate
PubChem CID25200515
Molecular FormulaC13H15N2O4-
Molecular Weight263.27 g/mol
Exact Mass263.10
IUPAC Name(2S)-5-amino-5-oxo-2-[(2-phenylacetyl)amino]pentanoate
SMILESNC(=O)CC[C@H](NC(=O)Cc1ccccc1)C(=O)[O-]
InChIInChI=1S/C13H16N2O4/c14-11(16)7-6-10(13(18)19)15-12(17)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,14,16)(H,15,17)(H,18,19)/p-1/t10-/m0/s1
InChIKeyJFLIEFSWGNOPJJ-JTQLQIEISA-M
XLogP-1.27
TPSA112.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 5-1.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Phenylacetylglutamine
CID 92258
N-Acetyl-L-phenylalanine
CID 74839
Phenylpropionylglycine
CID 152323
Phenylacetylglycine
CID 68144
Afalanine
CID 2000
Phe-Gly
CID 6992304
Antineoplaston A10
CID 56260
(2S)-1-[(2S)-6-azaniumyl-2-[[(1S)-1-carboxylato-3-phenylpropyl]azaniumyl]hexanoyl]pyrrolidine-2-carboxylate
CID 11865407
gamma-L-Glutamyl-L-phenylalanine
CID 111299
Leu-phe
CID 6992310
L-Phenylalanyl-L-alanine
CID 5488196
Val-Phe
CID 6993120

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-5-oxo-2-[(2-phenylacetyl)amino]pentanoate?
The IUPAC name of (2S)-5-amino-5-oxo-2-[(2-phenylacetyl)amino]pentanoate (CID 25200515) is (2S)-5-amino-5-oxo-2-[(2-phenylacetyl)amino]pentanoate.
What is the SMILES notation for (2S)-5-amino-5-oxo-2-[(2-phenylacetyl)amino]pentanoate?
The canonical SMILES for (2S)-5-amino-5-oxo-2-[(2-phenylacetyl)amino]pentanoate is NC(=O)CC[C@H](NC(=O)Cc1ccccc1)C(=O)[O-].
What is the InChIKey of (2S)-5-amino-5-oxo-2-[(2-phenylacetyl)amino]pentanoate?
The InChIKey is JFLIEFSWGNOPJJ-JTQLQIEISA-M. The full InChI is InChI=1S/C13H16N2O4/c14-11(16)7-6-10(13(18)19)15-12(17)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,14,16)(H,15,17)(H,18,19)/p-1/t10-/m0/s1.
What are the key properties of (2S)-5-amino-5-oxo-2-[(2-phenylacetyl)amino]pentanoate?
(2S)-5-amino-5-oxo-2-[(2-phenylacetyl)amino]pentanoate has a molecular weight of 263.27 g/mol, XLogP of -1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-5-oxo-2-[(2-phenylacetyl)amino]pentanoate is sourced from PubChem (CID 25200515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).