4-amino-2-nonoxybenzoic acid

C16H25NO3 — CID 106954713

IUPAC4-amino-2-nonoxybenzoic acid
SMILESCCCCCCCCCOc1cc(N)ccc1C(=O)O
InChIInChI=1S/C16H25NO3/c1-2-3-4-5-6-7-8-11-20-15-12-13(17)9-10-14(15)16(18)19/h9-10,12H,2-8,11,17H2,1H3,(H,18,19)
InChIKeyHYUXACXBTPZNCK-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.10
Rot. Bonds10

About 4-amino-2-nonoxybenzoic acid

4-amino-2-nonoxybenzoic acid (PubChem CID 106954713) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-amino-2-nonoxybenzoic acid.

Molecular Properties

Compound Name4-amino-2-nonoxybenzoic acid
PubChem CID106954713
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name4-amino-2-nonoxybenzoic acid
SMILESCCCCCCCCCOc1cc(N)ccc1C(=O)O
InChIInChI=1S/C16H25NO3/c1-2-3-4-5-6-7-8-11-20-15-12-13(17)9-10-14(15)16(18)19/h9-10,12H,2-8,11,17H2,1H3,(H,18,19)
InChIKeyHYUXACXBTPZNCK-UHFFFAOYSA-N
XLogP4.10
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-2-nonoxybenzoic 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-octadecoxyterephthalic acid
CID 142668937
4-amino-2-(6-ethoxy-6-oxohexoxy)benzoic acid
CID 106954896
4-decoxy-2-hexoxybenzoic acid
CID 141156533
2-pentoxyterephthalic acid
CID 86182031
4,6-di(undecoxy)benzene-1,3-dicarboxylic acid
CID 101148089
2-hexadecoxy-4-hydroxybenzoic acid
CID 102239307
4-amino-2-hexoxycarbonylbenzoic acid
CID 101454574
4-amino-2-(3-methylsulfanylpropoxy)benzoic acid
CID 106954863
5-amino-2-octoxycarbonylbenzoic acid
CID 141472571
4-amino-2-[2-(diethylamino)ethoxy]benzoic acid
CID 56992725
4-amino-2-[2-(2-methoxyethoxy)ethoxy]benzoic acid
CID 104564131
1-(5-amino-2-octoxyphenyl)ethanone
CID 26223

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-nonoxybenzoic acid?
The IUPAC name of 4-amino-2-nonoxybenzoic acid (CID 106954713) is 4-amino-2-nonoxybenzoic acid.
What is the SMILES notation for 4-amino-2-nonoxybenzoic acid?
The canonical SMILES for 4-amino-2-nonoxybenzoic acid is CCCCCCCCCOc1cc(N)ccc1C(=O)O.
What is the InChIKey of 4-amino-2-nonoxybenzoic acid?
The InChIKey is HYUXACXBTPZNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-2-3-4-5-6-7-8-11-20-15-12-13(17)9-10-14(15)16(18)19/h9-10,12H,2-8,11,17H2,1H3,(H,18,19).
What are the key properties of 4-amino-2-nonoxybenzoic acid?
4-amino-2-nonoxybenzoic acid has a molecular weight of 279.38 g/mol, XLogP of 4.10, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-nonoxybenzoic acid is sourced from PubChem (CID 106954713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).