2-(ethoxycarbonylamino)-4-hydroxybenzoic acid

C10H11NO5 — CID 19845793

IUPAC2-(ethoxycarbonylamino)-4-hydroxybenzoic acid
SMILESCCOC(=O)Nc1cc(O)ccc1C(=O)O
InChIInChI=1S/C10H11NO5/c1-2-16-10(15)11-8-5-6(12)3-4-7(8)9(13)14/h3-5,12H,2H2,1H3,(H,11,15)(H,13,14)
InChIKeyBOQCXXSYCQNTSQ-UHFFFAOYSA-N
MW225.20 g/mol
LogP1.66
Rot. Bonds3

About 2-(ethoxycarbonylamino)-4-hydroxybenzoic acid

2-(ethoxycarbonylamino)-4-hydroxybenzoic acid (PubChem CID 19845793) has the molecular formula C10H11NO5 and a molecular weight of 225.20 g/mol. Its IUPAC name is 2-(ethoxycarbonylamino)-4-hydroxybenzoic acid.

Molecular Properties

Compound Name2-(ethoxycarbonylamino)-4-hydroxybenzoic acid
PubChem CID19845793
Molecular FormulaC10H11NO5
Molecular Weight225.20 g/mol
Exact Mass225.06
IUPAC Name2-(ethoxycarbonylamino)-4-hydroxybenzoic acid
SMILESCCOC(=O)Nc1cc(O)ccc1C(=O)O
InChIInChI=1S/C10H11NO5/c1-2-16-10(15)11-8-5-6(12)3-4-7(8)9(13)14/h3-5,12H,2H2,1H3,(H,11,15)(H,13,14)
InChIKeyBOQCXXSYCQNTSQ-UHFFFAOYSA-N
XLogP1.66
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(ethoxycarbonylamino)-4-hydroxybenzoic 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

4-(ethoxycarbonylamino)-6-methylbenzene-1,3-dicarboxylic acid
CID 174441448
2-acetamido-4-hydroxybenzoic acid
CID 18452830
ethyl N-(6-hydroxynaphthalen-2-yl)carbamate
CID 68802648
5-butyl-2-(ethoxycarbonylamino)benzoic acid
CID 19845690
ethyl N-(6-hydroxy-1-benzothiophen-3-yl)carbamate
CID 15381204
3-amino-4-(ethoxycarbonylamino)benzoic acid
CID 63117054
dimethyl 2-[[4-chloro-2-(ethoxycarbonylamino)phenyl]-hydroxymethylidene]propanedioate
CID 100974539
4-chloro-2-(phenylmethoxycarbonylamino)benzoic acid
CID 29299845
5-bromo-2-(ethoxycarbonylamino)-3-methylbenzoic acid
CID 162371314
ethyl N-[5-chloro-2-(N'-hydroxycarbamimidoyl)phenyl]carbamate
CID 77050482
ethyl 2-(2,5-dihydroxyanilino)-2-oxoacetate
CID 12803557
4-chloro-2-[(4-ethoxy-4-oxobutanoyl)amino]benzoic acid
CID 43170498

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxycarbonylamino)-4-hydroxybenzoic acid?
The IUPAC name of 2-(ethoxycarbonylamino)-4-hydroxybenzoic acid (CID 19845793) is 2-(ethoxycarbonylamino)-4-hydroxybenzoic acid.
What is the SMILES notation for 2-(ethoxycarbonylamino)-4-hydroxybenzoic acid?
The canonical SMILES for 2-(ethoxycarbonylamino)-4-hydroxybenzoic acid is CCOC(=O)Nc1cc(O)ccc1C(=O)O.
What is the InChIKey of 2-(ethoxycarbonylamino)-4-hydroxybenzoic acid?
The InChIKey is BOQCXXSYCQNTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO5/c1-2-16-10(15)11-8-5-6(12)3-4-7(8)9(13)14/h3-5,12H,2H2,1H3,(H,11,15)(H,13,14).
What are the key properties of 2-(ethoxycarbonylamino)-4-hydroxybenzoic acid?
2-(ethoxycarbonylamino)-4-hydroxybenzoic acid has a molecular weight of 225.20 g/mol, XLogP of 1.66, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxycarbonylamino)-4-hydroxybenzoic acid is sourced from PubChem (CID 19845793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).