(2S)-2-[[2-(4-acetamidophenyl)acetyl]amino]pentanoic acid

C15H20N2O4 — CID 107564044

IUPAC(2S)-2-[[2-(4-acetamidophenyl)acetyl]amino]pentanoic acid
SMILESCCC[C@H](NC(=O)Cc1ccc(NC(C)=O)cc1)C(=O)O
InChIInChI=1S/C15H20N2O4/c1-3-4-13(15(20)21)17-14(19)9-11-5-7-12(8-6-11)16-10(2)18/h5-8,13H,3-4,9H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)/t13-/m0/s1
InChIKeyYHUDMFXUOTUEBF-ZDUSSCGKSA-N
MW292.34 g/mol
LogP1.56
Rot. Bonds7

About (2S)-2-[[2-(4-acetamidophenyl)acetyl]amino]pentanoic acid

(2S)-2-[[2-(4-acetamidophenyl)acetyl]amino]pentanoic acid (PubChem CID 107564044) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is (2S)-2-[[2-(4-acetamidophenyl)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-(4-acetamidophenyl)acetyl]amino]pentanoic acid
PubChem CID107564044
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name(2S)-2-[[2-(4-acetamidophenyl)acetyl]amino]pentanoic acid
SMILESCCC[C@H](NC(=O)Cc1ccc(NC(C)=O)cc1)C(=O)O
InChIInChI=1S/C15H20N2O4/c1-3-4-13(15(20)21)17-14(19)9-11-5-7-12(8-6-11)16-10(2)18/h5-8,13H,3-4,9H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)/t13-/m0/s1
InChIKeyYHUDMFXUOTUEBF-ZDUSSCGKSA-N
XLogP1.56
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[2-(4-acetamidophenyl)acetyl]amino]pentanoic acid
CID 107563002
(2S)-2-[[2-(4-acetamidophenyl)acetyl]amino]-4-hydroxybutanoic acid
CID 107821893
(2R)-2-[[2-(4-acetamidophenyl)acetyl]amino]-4-hydroxybutanoic acid
CID 107822994
(2R)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]pentanoic acid
CID 107562883
2-(4-acetamidophenyl)-N-[(1R)-1-phenylbutyl]acetamide
CID 27856977
(2S)-2-[(3-acetamidophenyl)carbamoylamino]pentanoic acid
CID 107566022
(2S)-2-[[2-(4-ethylphenyl)acetyl]amino]hexanoic acid
CID 120615590
2-[[4-(cyanomethyl)phenyl]carbamoylamino]pentanoic acid
CID 62301370
2-[[2-(4-acetamidophenyl)acetyl]amino]-2-phenylacetic acid
CID 108804747
(2S)-2-[[2-(4-aminophenyl)acetyl]amino]hexanoic acid
CID 107146910
2-[(4-propoxyphenyl)carbamoylamino]pentanoic acid
CID 62328876
2-[[2-(2-hydroxyphenyl)acetyl]amino]pentanoic acid
CID 80740485

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(4-acetamidophenyl)acetyl]amino]pentanoic acid?
The IUPAC name of (2S)-2-[[2-(4-acetamidophenyl)acetyl]amino]pentanoic acid (CID 107564044) is (2S)-2-[[2-(4-acetamidophenyl)acetyl]amino]pentanoic acid.
What is the SMILES notation for (2S)-2-[[2-(4-acetamidophenyl)acetyl]amino]pentanoic acid?
The canonical SMILES for (2S)-2-[[2-(4-acetamidophenyl)acetyl]amino]pentanoic acid is CCC[C@H](NC(=O)Cc1ccc(NC(C)=O)cc1)C(=O)O.
What is the InChIKey of (2S)-2-[[2-(4-acetamidophenyl)acetyl]amino]pentanoic acid?
The InChIKey is YHUDMFXUOTUEBF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-3-4-13(15(20)21)17-14(19)9-11-5-7-12(8-6-11)16-10(2)18/h5-8,13H,3-4,9H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)/t13-/m0/s1.
What are the key properties of (2S)-2-[[2-(4-acetamidophenyl)acetyl]amino]pentanoic acid?
(2S)-2-[[2-(4-acetamidophenyl)acetyl]amino]pentanoic acid has a molecular weight of 292.34 g/mol, XLogP of 1.56, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(4-acetamidophenyl)acetyl]amino]pentanoic acid is sourced from PubChem (CID 107564044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).