methyl 3-amino-5-(2-hydroxyacetyl)benzoate

C10H11NO4 — CID 90265389

IUPACmethyl 3-amino-5-(2-hydroxyacetyl)benzoate
SMILESCOC(=O)c1cc(N)cc(C(=O)CO)c1
InChIInChI=1S/C10H11NO4/c1-15-10(14)7-2-6(9(13)5-12)3-8(11)4-7/h2-4,12H,5,11H2,1H3
InChIKeyOMXQCVQIVIZFJK-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.23
Rot. Bonds3

About methyl 3-amino-5-(2-hydroxyacetyl)benzoate

methyl 3-amino-5-(2-hydroxyacetyl)benzoate (PubChem CID 90265389) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is methyl 3-amino-5-(2-hydroxyacetyl)benzoate.

Molecular Properties

Compound Namemethyl 3-amino-5-(2-hydroxyacetyl)benzoate
PubChem CID90265389
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Namemethyl 3-amino-5-(2-hydroxyacetyl)benzoate
SMILESCOC(=O)c1cc(N)cc(C(=O)CO)c1
InChIInChI=1S/C10H11NO4/c1-15-10(14)7-2-6(9(13)5-12)3-8(11)4-7/h2-4,12H,5,11H2,1H3
InChIKeyOMXQCVQIVIZFJK-UHFFFAOYSA-N
XLogP0.23
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 3-amino-5-(2-hydroxyacetyl)benzoate 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

ethane;methyl 3-amino-5-(hydroxymethyl)benzoate
CID 145485073
methyl 3-amino-5-ethoxybenzoate
CID 45089063
methyl 3-(2-hydroxyacetyl)-5-octadecoxybenzoate
CID 140623567
methyl 3-amino-5-ethylsulfanylbenzoate
CID 91876098
methyl 3-amino-5-[1,2-dihydroxy-3-(methylamino)propyl]benzoate
CID 171858622
4-(3-amino-5-methoxycarbonylphenyl)-3,4-dihydroxybutanoic acid
CID 171878356
dimethyl 5-(hydroxymethylamino)benzene-1,3-dicarboxylate
CID 58723142
dipropyl 5-aminobenzene-1,3-dicarboxylate
CID 71344952
dimethyl 5-(4-amino-2,6-dibromophenoxy)benzene-1,3-dicarboxylate
CID 21252421
methyl 3-amino-5-[(E)-hydroxyiminomethyl]benzoate
CID 10726461
1-amino-3-methoxycarbonyl-5-(sulfinoamino)benzene
CID 174333089
methyl 2-(acetyloxymethyl)-6-[6-(formyloxymethyl)-4-(2-hydroxyacetyl)-2-pyridinyl]pyridine-4-carboxylate
CID 89184766

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-(2-hydroxyacetyl)benzoate?
The IUPAC name of methyl 3-amino-5-(2-hydroxyacetyl)benzoate (CID 90265389) is methyl 3-amino-5-(2-hydroxyacetyl)benzoate.
What is the SMILES notation for methyl 3-amino-5-(2-hydroxyacetyl)benzoate?
The canonical SMILES for methyl 3-amino-5-(2-hydroxyacetyl)benzoate is COC(=O)c1cc(N)cc(C(=O)CO)c1.
What is the InChIKey of methyl 3-amino-5-(2-hydroxyacetyl)benzoate?
The InChIKey is OMXQCVQIVIZFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-15-10(14)7-2-6(9(13)5-12)3-8(11)4-7/h2-4,12H,5,11H2,1H3.
What are the key properties of methyl 3-amino-5-(2-hydroxyacetyl)benzoate?
methyl 3-amino-5-(2-hydroxyacetyl)benzoate has a molecular weight of 209.20 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-(2-hydroxyacetyl)benzoate is sourced from PubChem (CID 90265389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).