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

C16H15NO4 — CID 63795110

IUPAC3-[2-[(2-hydroxybenzoyl)amino]ethyl]benzoic acid
SMILESO=C(O)c1cccc(CCNC(=O)c2ccccc2O)c1
InChIInChI=1S/C16H15NO4/c18-14-7-2-1-6-13(14)15(19)17-9-8-11-4-3-5-12(10-11)16(20)21/h1-7,10,18H,8-9H2,(H,17,19)(H,20,21)
InChIKeyMTASDBZNXQSJDI-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.06
Rot. Bonds5

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

3-[2-[(2-hydroxybenzoyl)amino]ethyl]benzoic acid (PubChem CID 63795110) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 3-[2-[(2-hydroxybenzoyl)amino]ethyl]benzoic acid.

Molecular Properties

Compound Name3-[2-[(2-hydroxybenzoyl)amino]ethyl]benzoic acid
PubChem CID63795110
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name3-[2-[(2-hydroxybenzoyl)amino]ethyl]benzoic acid
SMILESO=C(O)c1cccc(CCNC(=O)c2ccccc2O)c1
InChIInChI=1S/C16H15NO4/c18-14-7-2-1-6-13(14)15(19)17-9-8-11-4-3-5-12(10-11)16(20)21/h1-7,10,18H,8-9H2,(H,17,19)(H,20,21)
InChIKeyMTASDBZNXQSJDI-UHFFFAOYSA-N
XLogP2.06
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-benzamidoethyl)benzoic acid;ethane
CID 91475554
2,3-dihydroxy-N-(2-phenylethyl)benzamide
CID 22895318
3-[2-[(4-methylthiophene-3-carbonyl)amino]ethyl]benzoic acid
CID 75356313
3-[2-[(2-methylfuran-3-carbonyl)amino]ethyl]benzoic acid
CID 63793514
3-[2-(thiophene-2-carbonylamino)ethyl]benzoic acid
CID 55235306
2-benzoyl-N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide
CID 177308540
2,4-dihydroxy-N-(2-phenylethyl)benzamide
CID 103600168
3-[2-[(5-bromothiophene-3-carbonyl)amino]ethyl]benzoic acid
CID 63794042
3-[2-[(5-chlorofuran-2-carbonyl)amino]ethyl]benzoic acid
CID 63795812
3-[2-[(2,2-difluoroacetyl)amino]ethyl]benzoic acid
CID 103513300
3-[[(3-hydroxy-2-methylbenzoyl)amino]methyl]benzoic acid
CID 82808720
N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide
CID 4142764

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-hydroxybenzoyl)amino]ethyl]benzoic acid?
The IUPAC name of 3-[2-[(2-hydroxybenzoyl)amino]ethyl]benzoic acid (CID 63795110) is 3-[2-[(2-hydroxybenzoyl)amino]ethyl]benzoic acid.
What is the SMILES notation for 3-[2-[(2-hydroxybenzoyl)amino]ethyl]benzoic acid?
The canonical SMILES for 3-[2-[(2-hydroxybenzoyl)amino]ethyl]benzoic acid is O=C(O)c1cccc(CCNC(=O)c2ccccc2O)c1.
What is the InChIKey of 3-[2-[(2-hydroxybenzoyl)amino]ethyl]benzoic acid?
The InChIKey is MTASDBZNXQSJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c18-14-7-2-1-6-13(14)15(19)17-9-8-11-4-3-5-12(10-11)16(20)21/h1-7,10,18H,8-9H2,(H,17,19)(H,20,21).
What are the key properties of 3-[2-[(2-hydroxybenzoyl)amino]ethyl]benzoic acid?
3-[2-[(2-hydroxybenzoyl)amino]ethyl]benzoic acid has a molecular weight of 285.30 g/mol, XLogP of 2.06, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-hydroxybenzoyl)amino]ethyl]benzoic acid is sourced from PubChem (CID 63795110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).