methyl 2-[(3-chloro-4-hydroxybenzoyl)amino]propanoate

C11H12ClNO4 — CID 60654193

IUPACmethyl 2-[(3-chloro-4-hydroxybenzoyl)amino]propanoate
SMILESCOC(=O)C(C)NC(=O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C11H12ClNO4/c1-6(11(16)17-2)13-10(15)7-3-4-9(14)8(12)5-7/h3-6,14H,1-2H3,(H,13,15)
InChIKeyMCTHPLRAIAWYFK-UHFFFAOYSA-N
MW257.67 g/mol
LogP1.34
Rot. Bonds3

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

methyl 2-[(3-chloro-4-hydroxybenzoyl)amino]propanoate (PubChem CID 60654193) has the molecular formula C11H12ClNO4 and a molecular weight of 257.67 g/mol. Its IUPAC name is methyl 2-[(3-chloro-4-hydroxybenzoyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(3-chloro-4-hydroxybenzoyl)amino]propanoate
PubChem CID60654193
Molecular FormulaC11H12ClNO4
Molecular Weight257.67 g/mol
Exact Mass257.05
IUPAC Namemethyl 2-[(3-chloro-4-hydroxybenzoyl)amino]propanoate
SMILESCOC(=O)C(C)NC(=O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C11H12ClNO4/c1-6(11(16)17-2)13-10(15)7-3-4-9(14)8(12)5-7/h3-6,14H,1-2H3,(H,13,15)
InChIKeyMCTHPLRAIAWYFK-UHFFFAOYSA-N
XLogP1.34
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
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

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Related Compounds

methyl 2-[(4-chloro-3-methylsulfonylbenzoyl)amino]propanoate
CID 60638166
methyl (2R)-2-[[4-chloro-3-(dimethylsulfamoyl)benzoyl]amino]propanoate
CID 25484227
3-chloro-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4-hydroxybenzamide
CID 103110763
N-[1-(4-aminophenyl)ethyl]-3-chloro-4-hydroxybenzamide
CID 43297503
3-chloro-N-(1-cyclopropylethyl)-4-hydroxybenzamide
CID 42919481
methyl 2-[(4-methylbenzoyl)amino]propanoate
CID 531439
N-(1-bromo-4-methylpentan-2-yl)-3-chloro-4-hydroxybenzamide
CID 114311603
3-chloro-4-hydroxybenzohydrazide
CID 10954268
methyl (2R)-2-[(3-carbamoylbenzoyl)amino]propanoate
CID 113257904
methyl (2S)-2-[(4-amino-3-fluorobenzoyl)amino]propanoate
CID 55159256
N-[1-(4-bromophenyl)ethyl]-3-chloro-4-hydroxybenzamide
CID 47097730
methyl 2-[(4-bromobenzoyl)amino]propanoate
CID 531405

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-chloro-4-hydroxybenzoyl)amino]propanoate?
The IUPAC name of methyl 2-[(3-chloro-4-hydroxybenzoyl)amino]propanoate (CID 60654193) is methyl 2-[(3-chloro-4-hydroxybenzoyl)amino]propanoate.
What is the SMILES notation for methyl 2-[(3-chloro-4-hydroxybenzoyl)amino]propanoate?
The canonical SMILES for methyl 2-[(3-chloro-4-hydroxybenzoyl)amino]propanoate is COC(=O)C(C)NC(=O)c1ccc(O)c(Cl)c1.
What is the InChIKey of methyl 2-[(3-chloro-4-hydroxybenzoyl)amino]propanoate?
The InChIKey is MCTHPLRAIAWYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO4/c1-6(11(16)17-2)13-10(15)7-3-4-9(14)8(12)5-7/h3-6,14H,1-2H3,(H,13,15).
What are the key properties of methyl 2-[(3-chloro-4-hydroxybenzoyl)amino]propanoate?
methyl 2-[(3-chloro-4-hydroxybenzoyl)amino]propanoate has a molecular weight of 257.67 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-chloro-4-hydroxybenzoyl)amino]propanoate is sourced from PubChem (CID 60654193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).