3-[ethyl-(2-hydroxy-3-methylbenzoyl)amino]butanoic acid

C14H19NO4 — CID 62821574

IUPAC3-[ethyl-(2-hydroxy-3-methylbenzoyl)amino]butanoic acid
SMILESCCN(C(=O)c1cccc(C)c1O)C(C)CC(=O)O
InChIInChI=1S/C14H19NO4/c1-4-15(10(3)8-12(16)17)14(19)11-7-5-6-9(2)13(11)18/h5-7,10,18H,4,8H2,1-3H3,(H,16,17)
InChIKeyAEYWFGREWYWCSX-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.03
Rot. Bonds5

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

3-[ethyl-(2-hydroxy-3-methylbenzoyl)amino]butanoic acid (PubChem CID 62821574) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-[ethyl-(2-hydroxy-3-methylbenzoyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[ethyl-(2-hydroxy-3-methylbenzoyl)amino]butanoic acid
PubChem CID62821574
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name3-[ethyl-(2-hydroxy-3-methylbenzoyl)amino]butanoic acid
SMILESCCN(C(=O)c1cccc(C)c1O)C(C)CC(=O)O
InChIInChI=1S/C14H19NO4/c1-4-15(10(3)8-12(16)17)14(19)11-7-5-6-9(2)13(11)18/h5-7,10,18H,4,8H2,1-3H3,(H,16,17)
InChIKeyAEYWFGREWYWCSX-UHFFFAOYSA-N
XLogP2.03
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,3-dimethylbenzoyl)-ethylamino]butanoic acid
CID 62820337
N-ethyl-2-hydroxy-3-methyl-N-propan-2-ylbenzamide
CID 43266066
3-[ethyl-(2-hydroxybenzoyl)amino]butanoic acid
CID 62821545
N-(1-chloropropan-2-yl)-2-hydroxy-N,3-dimethylbenzamide
CID 104555728
3-[ethyl(1H-indole-4-carbonyl)amino]butanoic acid
CID 62827427
N-ethyl-2,3-dihydroxy-N-propan-2-ylbenzamide
CID 114343923
3-[ethyl-(2-methyl-5-methylsulfanylbenzoyl)amino]butanoic acid
CID 62827068
2-hydroxy-N,3-dimethyl-N-pentan-2-ylbenzamide
CID 43430193
3-[ethyl-(2-methylsulfanylpyridine-3-carbonyl)amino]butanoic acid
CID 62820863
3-[ethyl-(3-fluorobenzoyl)amino]butanoic acid
CID 62821196
3-[ethyl-(3-iodobenzoyl)amino]butanoic acid
CID 62821910
2-[(2-hydroxy-3-methylbenzoyl)amino]propanoic acid
CID 24709135

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(2-hydroxy-3-methylbenzoyl)amino]butanoic acid?
The IUPAC name of 3-[ethyl-(2-hydroxy-3-methylbenzoyl)amino]butanoic acid (CID 62821574) is 3-[ethyl-(2-hydroxy-3-methylbenzoyl)amino]butanoic acid.
What is the SMILES notation for 3-[ethyl-(2-hydroxy-3-methylbenzoyl)amino]butanoic acid?
The canonical SMILES for 3-[ethyl-(2-hydroxy-3-methylbenzoyl)amino]butanoic acid is CCN(C(=O)c1cccc(C)c1O)C(C)CC(=O)O.
What is the InChIKey of 3-[ethyl-(2-hydroxy-3-methylbenzoyl)amino]butanoic acid?
The InChIKey is AEYWFGREWYWCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-4-15(10(3)8-12(16)17)14(19)11-7-5-6-9(2)13(11)18/h5-7,10,18H,4,8H2,1-3H3,(H,16,17).
What are the key properties of 3-[ethyl-(2-hydroxy-3-methylbenzoyl)amino]butanoic acid?
3-[ethyl-(2-hydroxy-3-methylbenzoyl)amino]butanoic acid has a molecular weight of 265.31 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(2-hydroxy-3-methylbenzoyl)amino]butanoic acid is sourced from PubChem (CID 62821574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).