methyl 3-[(2-chloro-5-hydroxybenzoyl)amino]propanoate

C11H12ClNO4 — CID 106501475

IUPACmethyl 3-[(2-chloro-5-hydroxybenzoyl)amino]propanoate
SMILESCOC(=O)CCNC(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C11H12ClNO4/c1-17-10(15)4-5-13-11(16)8-6-7(14)2-3-9(8)12/h2-3,6,14H,4-5H2,1H3,(H,13,16)
InChIKeySWCWAFCXGGQJDY-UHFFFAOYSA-N
MW257.67 g/mol
LogP1.34
Rot. Bonds4

About methyl 3-[(2-chloro-5-hydroxybenzoyl)amino]propanoate

methyl 3-[(2-chloro-5-hydroxybenzoyl)amino]propanoate (PubChem CID 106501475) has the molecular formula C11H12ClNO4 and a molecular weight of 257.67 g/mol. Its IUPAC name is methyl 3-[(2-chloro-5-hydroxybenzoyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2-chloro-5-hydroxybenzoyl)amino]propanoate
PubChem CID106501475
Molecular FormulaC11H12ClNO4
Molecular Weight257.67 g/mol
Exact Mass257.05
IUPAC Namemethyl 3-[(2-chloro-5-hydroxybenzoyl)amino]propanoate
SMILESCOC(=O)CCNC(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C11H12ClNO4/c1-17-10(15)4-5-13-11(16)8-6-7(14)2-3-9(8)12/h2-3,6,14H,4-5H2,1H3,(H,13,16)
InChIKeySWCWAFCXGGQJDY-UHFFFAOYSA-N
XLogP1.34
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.67
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 3-[(2-chloro-5-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

2-chloro-5-hydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 106502576
methyl 4-[(2,5-dihydroxybenzoyl)amino]butanoate
CID 67654054
2-chloro-N-(2-ethylsulfonylethyl)-5-hydroxybenzamide
CID 106741452
2-[(2-chloro-5-hydroxybenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 106500403
N-(3-butoxypropyl)-2-chloro-5-hydroxybenzamide
CID 106502163
2-chloro-5-hydroxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 106502213
N-(5-bromopentyl)-2-chloro-5-hydroxybenzamide
CID 107321908
N-(4-aminopentyl)-2-chloro-5-hydroxybenzamide
CID 114146404
2-chloro-N-[2-(dimethylsulfamoyl)ethyl]-5-hydroxybenzamide
CID 106339733
methyl 2-[(2-chloro-5-hydroxybenzoyl)-propylamino]acetate
CID 106501642
2-chloro-5-hydroxy-N-(3-phenoxypropyl)benzamide
CID 106501748
N-[2-(4-aminophenyl)ethyl]-2-chloro-5-hydroxybenzamide
CID 106500100

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-chloro-5-hydroxybenzoyl)amino]propanoate?
The IUPAC name of methyl 3-[(2-chloro-5-hydroxybenzoyl)amino]propanoate (CID 106501475) is methyl 3-[(2-chloro-5-hydroxybenzoyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(2-chloro-5-hydroxybenzoyl)amino]propanoate?
The canonical SMILES for methyl 3-[(2-chloro-5-hydroxybenzoyl)amino]propanoate is COC(=O)CCNC(=O)c1cc(O)ccc1Cl.
What is the InChIKey of methyl 3-[(2-chloro-5-hydroxybenzoyl)amino]propanoate?
The InChIKey is SWCWAFCXGGQJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO4/c1-17-10(15)4-5-13-11(16)8-6-7(14)2-3-9(8)12/h2-3,6,14H,4-5H2,1H3,(H,13,16).
What are the key properties of methyl 3-[(2-chloro-5-hydroxybenzoyl)amino]propanoate?
methyl 3-[(2-chloro-5-hydroxybenzoyl)amino]propanoate has a molecular weight of 257.67 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-chloro-5-hydroxybenzoyl)amino]propanoate is sourced from PubChem (CID 106501475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).