ethyl 3-[(4-amino-2-hydroxybenzoyl)amino]propanoate

C12H16N2O4 — CID 10015078

IUPACethyl 3-[(4-amino-2-hydroxybenzoyl)amino]propanoate
SMILESCCOC(=O)CCNC(=O)c1ccc(N)cc1O
InChIInChI=1S/C12H16N2O4/c1-2-18-11(16)5-6-14-12(17)9-4-3-8(13)7-10(9)15/h3-4,7,15H,2,5-6,13H2,1H3,(H,14,17)
InChIKeyHBBZANBOZGRJGU-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.66
Rot. Bonds5

About ethyl 3-[(4-amino-2-hydroxybenzoyl)amino]propanoate

ethyl 3-[(4-amino-2-hydroxybenzoyl)amino]propanoate (PubChem CID 10015078) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is ethyl 3-[(4-amino-2-hydroxybenzoyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(4-amino-2-hydroxybenzoyl)amino]propanoate
PubChem CID10015078
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Nameethyl 3-[(4-amino-2-hydroxybenzoyl)amino]propanoate
SMILESCCOC(=O)CCNC(=O)c1ccc(N)cc1O
InChIInChI=1S/C12H16N2O4/c1-2-18-11(16)5-6-14-12(17)9-4-3-8(13)7-10(9)15/h3-4,7,15H,2,5-6,13H2,1H3,(H,14,17)
InChIKeyHBBZANBOZGRJGU-UHFFFAOYSA-N
XLogP0.66
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 3-[(4-amino-2-hydroxybenzoyl)amino]propanoate 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

N-[2-[2-[(4-amino-2-hydroxybenzoyl)amino]ethyldisulfanyl]ethyl]-2-hydroxy-4-methylbenzamide
CID 155699714
ethyl 3-[(5-amino-2-fluoro-3-methylbenzoyl)amino]propanoate
CID 103296353
ethyl 3-[(2,4-dimethoxybenzoyl)amino]propanoate
CID 47437682
ethyl 3-[(5-hydroxy-2-nitrobenzoyl)amino]propanoate
CID 99798720
ethyl 3-[(2-ethylbenzoyl)amino]propanoate
CID 70914012
ethyl 3-[(5-amino-2-chloropyridine-3-carbonyl)amino]propanoate
CID 114045972
ethyl 3-[(4-bromo-3-hydroxybenzoyl)amino]propanoate
CID 103830570
methyl 3-[(5-amino-2-fluorobenzoyl)amino]propanoate
CID 43665877
ethyl 4-[(5-chloro-2-hydroxybenzoyl)amino]butanoate
CID 60520407
ethyl 4-[(5-amino-1H-indole-3-carbonyl)amino]butanoate
CID 64581541
5-amino-2-hydroxy-N-propylbenzamide
CID 19822912
ethyl 3-[[2-(2-hydroxyphenyl)acetyl]amino]propanoate
CID 78916962

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(4-amino-2-hydroxybenzoyl)amino]propanoate?
The IUPAC name of ethyl 3-[(4-amino-2-hydroxybenzoyl)amino]propanoate (CID 10015078) is ethyl 3-[(4-amino-2-hydroxybenzoyl)amino]propanoate.
What is the SMILES notation for ethyl 3-[(4-amino-2-hydroxybenzoyl)amino]propanoate?
The canonical SMILES for ethyl 3-[(4-amino-2-hydroxybenzoyl)amino]propanoate is CCOC(=O)CCNC(=O)c1ccc(N)cc1O.
What is the InChIKey of ethyl 3-[(4-amino-2-hydroxybenzoyl)amino]propanoate?
The InChIKey is HBBZANBOZGRJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-2-18-11(16)5-6-14-12(17)9-4-3-8(13)7-10(9)15/h3-4,7,15H,2,5-6,13H2,1H3,(H,14,17).
What are the key properties of ethyl 3-[(4-amino-2-hydroxybenzoyl)amino]propanoate?
ethyl 3-[(4-amino-2-hydroxybenzoyl)amino]propanoate has a molecular weight of 252.27 g/mol, XLogP of 0.66, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(4-amino-2-hydroxybenzoyl)amino]propanoate is sourced from PubChem (CID 10015078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).