2-hydroxy-3-(nonanoylamino)benzoic acid

C16H23NO4 — CID 104832987

IUPAC2-hydroxy-3-(nonanoylamino)benzoic acid
SMILESCCCCCCCCC(=O)Nc1cccc(C(=O)O)c1O
InChIInChI=1S/C16H23NO4/c1-2-3-4-5-6-7-11-14(18)17-13-10-8-9-12(15(13)19)16(20)21/h8-10,19H,2-7,11H2,1H3,(H,17,18)(H,20,21)
InChIKeyMQJJICBHIMKVRZ-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.78
Rot. Bonds9

About 2-hydroxy-3-(nonanoylamino)benzoic acid

2-hydroxy-3-(nonanoylamino)benzoic acid (PubChem CID 104832987) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-hydroxy-3-(nonanoylamino)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-3-(nonanoylamino)benzoic acid
PubChem CID104832987
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-hydroxy-3-(nonanoylamino)benzoic acid
SMILESCCCCCCCCC(=O)Nc1cccc(C(=O)O)c1O
InChIInChI=1S/C16H23NO4/c1-2-3-4-5-6-7-11-14(18)17-13-10-8-9-12(15(13)19)16(20)21/h8-10,19H,2-7,11H2,1H3,(H,17,18)(H,20,21)
InChIKeyMQJJICBHIMKVRZ-UHFFFAOYSA-N
XLogP3.78
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 2-hydroxy-3-(nonanoylamino)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(hexacosanoylamino)benzoic acid
CID 123304158
2,3-bis(tetradecanoylamino)benzoic acid
CID 154111832
2-chloro-3-(hexanoylamino)benzoic acid
CID 58066004
2-(octadec-9-enoylamino)benzoic acid
CID 54292093
3-(decoxycarbonylamino)-2-hydroxybenzoic acid
CID 19000845
2-[[3-(2-heptadecanoylhydrazinyl)-3-oxopropanoyl]amino]benzoic acid
CID 25113731
3-(3-ethylsulfanylpropanoylamino)-2-hydroxybenzoic acid
CID 151909186
N-butyl-2-hydroxy-3-(6-phenylhexanoylamino)benzamide
CID 132561549
N-(3-hydroxy-2-methylphenyl)decanamide
CID 65426726
3-decanoyl-2-hydroxybenzoic acid
CID 54281458
2-(hexadecanoylamino)-3-methylbenzoic acid
CID 12800042
2-hydroxy-3-[(2-propoxyacetyl)amino]benzoic acid
CID 114018262

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(nonanoylamino)benzoic acid?
The IUPAC name of 2-hydroxy-3-(nonanoylamino)benzoic acid (CID 104832987) is 2-hydroxy-3-(nonanoylamino)benzoic acid.
What is the SMILES notation for 2-hydroxy-3-(nonanoylamino)benzoic acid?
The canonical SMILES for 2-hydroxy-3-(nonanoylamino)benzoic acid is CCCCCCCCC(=O)Nc1cccc(C(=O)O)c1O.
What is the InChIKey of 2-hydroxy-3-(nonanoylamino)benzoic acid?
The InChIKey is MQJJICBHIMKVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-2-3-4-5-6-7-11-14(18)17-13-10-8-9-12(15(13)19)16(20)21/h8-10,19H,2-7,11H2,1H3,(H,17,18)(H,20,21).
What are the key properties of 2-hydroxy-3-(nonanoylamino)benzoic acid?
2-hydroxy-3-(nonanoylamino)benzoic acid has a molecular weight of 293.36 g/mol, XLogP of 3.78, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(nonanoylamino)benzoic acid is sourced from PubChem (CID 104832987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).