(2S)-5-amino-5-oxo-2-(4-phenylbutanoylamino)pentanoic acid

C15H20N2O4 — CID 28939663

IUPAC(2S)-5-amino-5-oxo-2-(4-phenylbutanoylamino)pentanoic acid
SMILESNC(=O)CC[C@H](NC(=O)CCCc1ccccc1)C(=O)O
InChIInChI=1S/C15H20N2O4/c16-13(18)10-9-12(15(20)21)17-14(19)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H2,16,18)(H,17,19)(H,20,21)/t12-/m0/s1
InChIKeyXKQKXKRCMAJADR-LBPRGKRZSA-N
MW292.33 g/mol
LogP0.84
Rot. Bonds9

About (2S)-5-amino-5-oxo-2-(4-phenylbutanoylamino)pentanoic acid

(2S)-5-amino-5-oxo-2-(4-phenylbutanoylamino)pentanoic acid (PubChem CID 28939663) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is (2S)-5-amino-5-oxo-2-(4-phenylbutanoylamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-5-oxo-2-(4-phenylbutanoylamino)pentanoic acid
PubChem CID28939663
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name(2S)-5-amino-5-oxo-2-(4-phenylbutanoylamino)pentanoic acid
SMILESNC(=O)CC[C@H](NC(=O)CCCc1ccccc1)C(=O)O
InChIInChI=1S/C15H20N2O4/c16-13(18)10-9-12(15(20)21)17-14(19)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H2,16,18)(H,17,19)(H,20,21)/t12-/m0/s1
InChIKeyXKQKXKRCMAJADR-LBPRGKRZSA-N
XLogP0.84
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Aspartame
CID 134601
Lisinopril
CID 5362119
Enalaprilat
CID 5462501
Phenylacetylglutamine
CID 92258
N-Acetyl-L-phenylalanine
CID 74839
Phenylpropionylglycine
CID 152323
Phenylacetylglycine
CID 68144
Lisinopril dihydrate
CID 5362118
N-((2R)-4-(Hydroxyamino)-1,4-dioxo-2-(phenylmethyl)butyl)-L-alanine
CID 123982
Afalanine
CID 2000
L-Phenylalanyl-L-phenylalanine
CID 6993090
Phe-Gly
CID 6992304

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-5-oxo-2-(4-phenylbutanoylamino)pentanoic acid?
The IUPAC name of (2S)-5-amino-5-oxo-2-(4-phenylbutanoylamino)pentanoic acid (CID 28939663) is (2S)-5-amino-5-oxo-2-(4-phenylbutanoylamino)pentanoic acid.
What is the SMILES notation for (2S)-5-amino-5-oxo-2-(4-phenylbutanoylamino)pentanoic acid?
The canonical SMILES for (2S)-5-amino-5-oxo-2-(4-phenylbutanoylamino)pentanoic acid is NC(=O)CC[C@H](NC(=O)CCCc1ccccc1)C(=O)O.
What is the InChIKey of (2S)-5-amino-5-oxo-2-(4-phenylbutanoylamino)pentanoic acid?
The InChIKey is XKQKXKRCMAJADR-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N2O4/c16-13(18)10-9-12(15(20)21)17-14(19)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H2,16,18)(H,17,19)(H,20,21)/t12-/m0/s1.
What are the key properties of (2S)-5-amino-5-oxo-2-(4-phenylbutanoylamino)pentanoic acid?
(2S)-5-amino-5-oxo-2-(4-phenylbutanoylamino)pentanoic acid has a molecular weight of 292.33 g/mol, XLogP of 0.84, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-5-oxo-2-(4-phenylbutanoylamino)pentanoic acid is sourced from PubChem (CID 28939663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).