3-[ethyl-(2-hydroxybenzoyl)amino]butanoic acid

C13H17NO4 — CID 62821545

IUPAC3-[ethyl-(2-hydroxybenzoyl)amino]butanoic acid
SMILESCCN(C(=O)c1ccccc1O)C(C)CC(=O)O
InChIInChI=1S/C13H17NO4/c1-3-14(9(2)8-12(16)17)13(18)10-6-4-5-7-11(10)15/h4-7,9,15H,3,8H2,1-2H3,(H,16,17)
InChIKeyJYIHOXQCOCRWNL-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.72
Rot. Bonds5

About 3-[ethyl-(2-hydroxybenzoyl)amino]butanoic acid

3-[ethyl-(2-hydroxybenzoyl)amino]butanoic acid (PubChem CID 62821545) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 3-[ethyl-(2-hydroxybenzoyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[ethyl-(2-hydroxybenzoyl)amino]butanoic acid
PubChem CID62821545
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name3-[ethyl-(2-hydroxybenzoyl)amino]butanoic acid
SMILESCCN(C(=O)c1ccccc1O)C(C)CC(=O)O
InChIInChI=1S/C13H17NO4/c1-3-14(9(2)8-12(16)17)13(18)10-6-4-5-7-11(10)15/h4-7,9,15H,3,8H2,1-2H3,(H,16,17)
InChIKeyJYIHOXQCOCRWNL-UHFFFAOYSA-N
XLogP1.72
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl-(2-hydroxy-3-methylbenzoyl)amino]butanoic acid
CID 62821574
3-[(2,3-dimethylbenzoyl)-ethylamino]butanoic acid
CID 62820337
3-[ethyl-(2-methylsulfanylpyridine-3-carbonyl)amino]butanoic acid
CID 62820863
3-[ethyl(1H-indole-4-carbonyl)amino]butanoic acid
CID 62827427
3-[(2-hydroxybenzoyl)-propan-2-ylamino]propanoic acid
CID 60830374
2-amino-N-butan-2-yl-N-ethylbenzamide
CID 43274061
3-[ethyl-[(2-hydroxyphenyl)methyl]amino]butanoic acid
CID 65060655
3-[ethyl-(4-ethylbenzoyl)amino]butanoic acid
CID 62821555
N-ethyl-2,3-dihydroxy-N-propan-2-ylbenzamide
CID 114343923
3-[ethyl-(2-methyl-5-methylsulfanylbenzoyl)amino]butanoic acid
CID 62827068
3-[ethyl(2-phenylpropylcarbamoyl)amino]butanoic acid
CID 104592016
3-[ethyl-(3-iodobenzoyl)amino]butanoic acid
CID 62821910

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(2-hydroxybenzoyl)amino]butanoic acid?
The IUPAC name of 3-[ethyl-(2-hydroxybenzoyl)amino]butanoic acid (CID 62821545) is 3-[ethyl-(2-hydroxybenzoyl)amino]butanoic acid.
What is the SMILES notation for 3-[ethyl-(2-hydroxybenzoyl)amino]butanoic acid?
The canonical SMILES for 3-[ethyl-(2-hydroxybenzoyl)amino]butanoic acid is CCN(C(=O)c1ccccc1O)C(C)CC(=O)O.
What is the InChIKey of 3-[ethyl-(2-hydroxybenzoyl)amino]butanoic acid?
The InChIKey is JYIHOXQCOCRWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-3-14(9(2)8-12(16)17)13(18)10-6-4-5-7-11(10)15/h4-7,9,15H,3,8H2,1-2H3,(H,16,17).
What are the key properties of 3-[ethyl-(2-hydroxybenzoyl)amino]butanoic acid?
3-[ethyl-(2-hydroxybenzoyl)amino]butanoic acid has a molecular weight of 251.28 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(2-hydroxybenzoyl)amino]butanoic acid is sourced from PubChem (CID 62821545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).