methyl 2-chloro-3-[[2-(2-hydroxyphenyl)acetyl]amino]propanoate

C12H14ClNO4 — CID 103492759

IUPACmethyl 2-chloro-3-[[2-(2-hydroxyphenyl)acetyl]amino]propanoate
SMILESCOC(=O)C(Cl)CNC(=O)Cc1ccccc1O
InChIInChI=1S/C12H14ClNO4/c1-18-12(17)9(13)7-14-11(16)6-8-4-2-3-5-10(8)15/h2-5,9,15H,6-7H2,1H3,(H,14,16)
InChIKeyXCQJAYIJLTWCQL-UHFFFAOYSA-N
MW271.70 g/mol
LogP0.83
Rot. Bonds5

About methyl 2-chloro-3-[[2-(2-hydroxyphenyl)acetyl]amino]propanoate

methyl 2-chloro-3-[[2-(2-hydroxyphenyl)acetyl]amino]propanoate (PubChem CID 103492759) has the molecular formula C12H14ClNO4 and a molecular weight of 271.70 g/mol. Its IUPAC name is methyl 2-chloro-3-[[2-(2-hydroxyphenyl)acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-chloro-3-[[2-(2-hydroxyphenyl)acetyl]amino]propanoate
PubChem CID103492759
Molecular FormulaC12H14ClNO4
Molecular Weight271.70 g/mol
Exact Mass271.06
IUPAC Namemethyl 2-chloro-3-[[2-(2-hydroxyphenyl)acetyl]amino]propanoate
SMILESCOC(=O)C(Cl)CNC(=O)Cc1ccccc1O
InChIInChI=1S/C12H14ClNO4/c1-18-12(17)9(13)7-14-11(16)6-8-4-2-3-5-10(8)15/h2-5,9,15H,6-7H2,1H3,(H,14,16)
InChIKeyXCQJAYIJLTWCQL-UHFFFAOYSA-N
XLogP0.83
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 2-chloro-3-[[2-(2-hydroxyphenyl)acetyl]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-(2-hydroxyphenyl)-N-(2-methylpropyl)acetamide
CID 22947307
N-(2-chloro-3-ethylpentyl)-2-(2-hydroxyphenyl)acetamide
CID 106287114
N-(3-chloro-2-methylpropyl)-2-(2-hydroxyphenyl)acetamide
CID 114302533
methyl 2-chloro-3-[[2-(3,4-dichlorophenyl)acetyl]amino]propanoate
CID 103492991
2-(2-hydroxyphenyl)-N-[2-(methylamino)propyl]acetamide
CID 103512690
methyl 2-chloro-3-[(2-chlorophenyl)methylamino]propanoate
CID 103491926
methyl 2-chloro-3-[(2-fluorophenyl)methylamino]propanoate
CID 103491904
methyl 2-chloro-3-[(2-iodobenzoyl)amino]propanoate
CID 103492717
2-(2-hydroxyphenyl)-N-(2-methoxyethoxy)acetamide
CID 79679652
methyl 2-[[2-(2-hydroxyphenyl)acetyl]amino]-3-methylbutanoate
CID 78993299
N-(4-hydroxy-2-methylpentyl)-2-(2-hydroxyphenyl)acetamide
CID 71980512
methyl 3-[(2-hydroxyphenyl)methylamino]-2-methylpropanoate
CID 114332021

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-3-[[2-(2-hydroxyphenyl)acetyl]amino]propanoate?
The IUPAC name of methyl 2-chloro-3-[[2-(2-hydroxyphenyl)acetyl]amino]propanoate (CID 103492759) is methyl 2-chloro-3-[[2-(2-hydroxyphenyl)acetyl]amino]propanoate.
What is the SMILES notation for methyl 2-chloro-3-[[2-(2-hydroxyphenyl)acetyl]amino]propanoate?
The canonical SMILES for methyl 2-chloro-3-[[2-(2-hydroxyphenyl)acetyl]amino]propanoate is COC(=O)C(Cl)CNC(=O)Cc1ccccc1O.
What is the InChIKey of methyl 2-chloro-3-[[2-(2-hydroxyphenyl)acetyl]amino]propanoate?
The InChIKey is XCQJAYIJLTWCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO4/c1-18-12(17)9(13)7-14-11(16)6-8-4-2-3-5-10(8)15/h2-5,9,15H,6-7H2,1H3,(H,14,16).
What are the key properties of methyl 2-chloro-3-[[2-(2-hydroxyphenyl)acetyl]amino]propanoate?
methyl 2-chloro-3-[[2-(2-hydroxyphenyl)acetyl]amino]propanoate has a molecular weight of 271.70 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-3-[[2-(2-hydroxyphenyl)acetyl]amino]propanoate is sourced from PubChem (CID 103492759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).