2-amino-5-prop-2-enoxybenzoic acid

C10H11NO3 — CID 57155191

IUPAC2-amino-5-prop-2-enoxybenzoic acid
SMILESC=CCOc1ccc(N)c(C(=O)O)c1
InChIInChI=1S/C10H11NO3/c1-2-5-14-7-3-4-9(11)8(6-7)10(12)13/h2-4,6H,1,5,11H2,(H,12,13)
InChIKeyIYLGBKPCRUJLDH-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.53
Rot. Bonds4

About 2-amino-5-prop-2-enoxybenzoic acid

2-amino-5-prop-2-enoxybenzoic acid (PubChem CID 57155191) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 2-amino-5-prop-2-enoxybenzoic acid.

Molecular Properties

Compound Name2-amino-5-prop-2-enoxybenzoic acid
PubChem CID57155191
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name2-amino-5-prop-2-enoxybenzoic acid
SMILESC=CCOc1ccc(N)c(C(=O)O)c1
InChIInChI=1S/C10H11NO3/c1-2-5-14-7-3-4-9(11)8(6-7)10(12)13/h2-4,6H,1,5,11H2,(H,12,13)
InChIKeyIYLGBKPCRUJLDH-UHFFFAOYSA-N
XLogP1.53
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-5-prop-2-enoxybenzoic 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-amino-5-propoxybenzoic acid
CID 12719187
2-amino-5-(2-methoxyethoxy)benzoic acid
CID 12719199
2-amino-5-[2-(4-bromophenoxy)ethoxy]benzoic acid
CID 107077092
2-prop-2-enoxy-5-(2,2,2-trifluoroethoxy)benzoic acid
CID 23035279
2-[6-(2-carboxy-5-prop-2-enoxyphenyl)naphthalen-2-yl]-4-prop-2-enoxybenzoic acid
CID 69100488
4-methyl-6-prop-2-enoxybenzene-1,3-dicarboxylic acid
CID 174467591
2-amino-5-(2-ethoxy-2-oxoethoxy)benzoic acid
CID 107077178
2-amino-5-heptoxybenzoic acid
CID 54888058
2-amino-5-[(4-bromophenyl)methoxy]benzoic acid
CID 82824687
benzene;4-prop-2-enoxybenzoic acid
CID 174857047
2-amino-5-methoxybenzoic acid;hydrochloride
CID 15618229
2-amino-5-(4-methoxy-4-oxobutoxy)benzoic acid
CID 63997539

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-prop-2-enoxybenzoic acid?
The IUPAC name of 2-amino-5-prop-2-enoxybenzoic acid (CID 57155191) is 2-amino-5-prop-2-enoxybenzoic acid.
What is the SMILES notation for 2-amino-5-prop-2-enoxybenzoic acid?
The canonical SMILES for 2-amino-5-prop-2-enoxybenzoic acid is C=CCOc1ccc(N)c(C(=O)O)c1.
What is the InChIKey of 2-amino-5-prop-2-enoxybenzoic acid?
The InChIKey is IYLGBKPCRUJLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-2-5-14-7-3-4-9(11)8(6-7)10(12)13/h2-4,6H,1,5,11H2,(H,12,13).
What are the key properties of 2-amino-5-prop-2-enoxybenzoic acid?
2-amino-5-prop-2-enoxybenzoic acid has a molecular weight of 193.20 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-prop-2-enoxybenzoic acid is sourced from PubChem (CID 57155191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).