2-[[2-(2-hydroxyphenyl)acetyl]amino]pentanoic acid

C13H17NO4 — CID 80740485

IUPAC2-[[2-(2-hydroxyphenyl)acetyl]amino]pentanoic acid
SMILESCCCC(NC(=O)Cc1ccccc1O)C(=O)O
InChIInChI=1S/C13H17NO4/c1-2-5-10(13(17)18)14-12(16)8-9-6-3-4-7-11(9)15/h3-4,6-7,10,15H,2,5,8H2,1H3,(H,14,16)(H,17,18)
InChIKeyVHUMRKLWECSBDJ-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.30
Rot. Bonds6

About 2-[[2-(2-hydroxyphenyl)acetyl]amino]pentanoic acid

2-[[2-(2-hydroxyphenyl)acetyl]amino]pentanoic acid (PubChem CID 80740485) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-[[2-(2-hydroxyphenyl)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-[[2-(2-hydroxyphenyl)acetyl]amino]pentanoic acid
PubChem CID80740485
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name2-[[2-(2-hydroxyphenyl)acetyl]amino]pentanoic acid
SMILESCCCC(NC(=O)Cc1ccccc1O)C(=O)O
InChIInChI=1S/C13H17NO4/c1-2-5-10(13(17)18)14-12(16)8-9-6-3-4-7-11(9)15/h3-4,6-7,10,15H,2,5,8H2,1H3,(H,14,16)(H,17,18)
InChIKeyVHUMRKLWECSBDJ-UHFFFAOYSA-N
XLogP1.30
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-2-[[2-(2-hydroxyphenyl)acetyl]amino]butanoic acid
CID 80741384
(2R)-2-[[2-(2-hydroxyphenyl)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107820559
(2R)-2-[[2-(2,3-difluorophenyl)acetyl]amino]pentanoic acid
CID 107563589
(2S)-2-[[2-(2-hydroxyphenyl)acetyl]amino]-4-methoxy-4-oxobutanoic acid
CID 80741011
(2R)-2-[[2-(2,6-difluorophenyl)acetyl]amino]pentanoic acid
CID 107562809
2-[(2-hydroxybenzoyl)amino]pentanoic acid
CID 43630253
2-[[2-(2,4-dichlorophenyl)acetyl]amino]pentanoic acid
CID 43630804
2-(2-hydroxyphenyl)-N-propan-2-ylacetamide
CID 78990911
(2R)-2-[(3-amino-3-phenylpropanoyl)amino]pentanoic acid
CID 103869978
(2S)-2-[[2-(4-acetamidophenyl)acetyl]amino]pentanoic acid
CID 107564044
(2R)-2-[[2-(4-acetamidophenyl)acetyl]amino]pentanoic acid
CID 107563002
(2R)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]pentanoic acid
CID 107562883

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-hydroxyphenyl)acetyl]amino]pentanoic acid?
The IUPAC name of 2-[[2-(2-hydroxyphenyl)acetyl]amino]pentanoic acid (CID 80740485) is 2-[[2-(2-hydroxyphenyl)acetyl]amino]pentanoic acid.
What is the SMILES notation for 2-[[2-(2-hydroxyphenyl)acetyl]amino]pentanoic acid?
The canonical SMILES for 2-[[2-(2-hydroxyphenyl)acetyl]amino]pentanoic acid is CCCC(NC(=O)Cc1ccccc1O)C(=O)O.
What is the InChIKey of 2-[[2-(2-hydroxyphenyl)acetyl]amino]pentanoic acid?
The InChIKey is VHUMRKLWECSBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-2-5-10(13(17)18)14-12(16)8-9-6-3-4-7-11(9)15/h3-4,6-7,10,15H,2,5,8H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 2-[[2-(2-hydroxyphenyl)acetyl]amino]pentanoic acid?
2-[[2-(2-hydroxyphenyl)acetyl]amino]pentanoic acid has a molecular weight of 251.28 g/mol, XLogP of 1.30, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-hydroxyphenyl)acetyl]amino]pentanoic acid is sourced from PubChem (CID 80740485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).