3-(hydroxymethoxyamino)-5-propan-2-yloxybenzoic acid

C11H15NO5 — CID 142986733

IUPAC3-(hydroxymethoxyamino)-5-propan-2-yloxybenzoic acid
SMILESCC(C)Oc1cc(NOCO)cc(C(=O)O)c1
InChIInChI=1S/C11H15NO5/c1-7(2)17-10-4-8(11(14)15)3-9(5-10)12-16-6-13/h3-5,7,12-13H,6H2,1-2H3,(H,14,15)
InChIKeyYVXQKTCTJVLRQN-UHFFFAOYSA-N
MW241.24 g/mol
LogP1.47
Rot. Bonds6

About 3-(hydroxymethoxyamino)-5-propan-2-yloxybenzoic acid

3-(hydroxymethoxyamino)-5-propan-2-yloxybenzoic acid (PubChem CID 142986733) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is 3-(hydroxymethoxyamino)-5-propan-2-yloxybenzoic acid.

Molecular Properties

Compound Name3-(hydroxymethoxyamino)-5-propan-2-yloxybenzoic acid
PubChem CID142986733
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Name3-(hydroxymethoxyamino)-5-propan-2-yloxybenzoic acid
SMILESCC(C)Oc1cc(NOCO)cc(C(=O)O)c1
InChIInChI=1S/C11H15NO5/c1-7(2)17-10-4-8(11(14)15)3-9(5-10)12-16-6-13/h3-5,7,12-13H,6H2,1-2H3,(H,14,15)
InChIKeyYVXQKTCTJVLRQN-UHFFFAOYSA-N
XLogP1.47
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(hydroxymethoxyamino)-5-propan-2-yloxybenzoic 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

3-[(2-fluorophenoxy)methyl]-5-propan-2-yloxybenzoic acid
CID 58780880
3-ethoxy-5-pentan-3-yloxybenzoic acid
CID 21062026
5-(butan-2-ylamino)benzene-1,3-dicarboxylic acid
CID 79694524
3-bromo-5-hydroxybenzoic acid;methyl 3-bromo-5-propan-2-yloxybenzoate
CID 158388681
3-(2-ethylpiperidine-1-carbonyl)-5-propan-2-yloxybenzoic acid
CID 58738124
5-(2-hydroxypropoxy)benzene-1,3-dicarboxylic acid
CID 139699920
[3,5-di(propan-2-yloxy)phenyl]-phenylmethanone
CID 67418850
4-fluoro-3,5-di(propan-2-yloxy)benzoic acid;[4-fluoro-3,5-di(propan-2-yloxy)phenyl]methanol
CID 162192945
3-methoxy-5-pentan-3-yloxybenzoic acid
CID 21061969
N-[3-(2-phenoxyethoxy)phenyl]-3-propan-2-yloxybenzamide
CID 17142503
3-(difluoromethoxy)-5-[(2,2,2-trifluoroacetyl)amino]benzoic acid
CID 167717441
5-(propan-2-ylamino)benzene-1,3-dicarboxylic acid
CID 23390748

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethoxyamino)-5-propan-2-yloxybenzoic acid?
The IUPAC name of 3-(hydroxymethoxyamino)-5-propan-2-yloxybenzoic acid (CID 142986733) is 3-(hydroxymethoxyamino)-5-propan-2-yloxybenzoic acid.
What is the SMILES notation for 3-(hydroxymethoxyamino)-5-propan-2-yloxybenzoic acid?
The canonical SMILES for 3-(hydroxymethoxyamino)-5-propan-2-yloxybenzoic acid is CC(C)Oc1cc(NOCO)cc(C(=O)O)c1.
What is the InChIKey of 3-(hydroxymethoxyamino)-5-propan-2-yloxybenzoic acid?
The InChIKey is YVXQKTCTJVLRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5/c1-7(2)17-10-4-8(11(14)15)3-9(5-10)12-16-6-13/h3-5,7,12-13H,6H2,1-2H3,(H,14,15).
What are the key properties of 3-(hydroxymethoxyamino)-5-propan-2-yloxybenzoic acid?
3-(hydroxymethoxyamino)-5-propan-2-yloxybenzoic acid has a molecular weight of 241.24 g/mol, XLogP of 1.47, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethoxyamino)-5-propan-2-yloxybenzoic acid is sourced from PubChem (CID 142986733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).