2-(2-amino-3-chlorobenzoyl)oxypropanoic acid

C10H10ClNO4 — CID 115547818

IUPAC2-(2-amino-3-chlorobenzoyl)oxypropanoic acid
SMILESCC(OC(=O)c1cccc(Cl)c1N)C(=O)O
InChIInChI=1S/C10H10ClNO4/c1-5(9(13)14)16-10(15)6-3-2-4-7(11)8(6)12/h2-5H,12H2,1H3,(H,13,14)
InChIKeyJQXMLUUSOFHZNE-UHFFFAOYSA-N
MW243.65 g/mol
LogP1.55
Rot. Bonds3

About 2-(2-amino-3-chlorobenzoyl)oxypropanoic acid

2-(2-amino-3-chlorobenzoyl)oxypropanoic acid (PubChem CID 115547818) has the molecular formula C10H10ClNO4 and a molecular weight of 243.65 g/mol. Its IUPAC name is 2-(2-amino-3-chlorobenzoyl)oxypropanoic acid.

Molecular Properties

Compound Name2-(2-amino-3-chlorobenzoyl)oxypropanoic acid
PubChem CID115547818
Molecular FormulaC10H10ClNO4
Molecular Weight243.65 g/mol
Exact Mass243.03
IUPAC Name2-(2-amino-3-chlorobenzoyl)oxypropanoic acid
SMILESCC(OC(=O)c1cccc(Cl)c1N)C(=O)O
InChIInChI=1S/C10H10ClNO4/c1-5(9(13)14)16-10(15)6-3-2-4-7(11)8(6)12/h2-5H,12H2,1H3,(H,13,14)
InChIKeyJQXMLUUSOFHZNE-UHFFFAOYSA-N
XLogP1.55
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.65
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-amino-3-chlorobenzoate
CID 78915543
[1-oxo-1-(2-phenylethylamino)propan-2-yl] 2-amino-3-chlorobenzoate
CID 24531323
[1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] 2-amino-3-chlorobenzoate
CID 24531329
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-amino-3-chlorobenzoate
CID 24531317
(3-amino-2-methyl-3-oxopropyl) 2-amino-3-chlorobenzoate
CID 115547825
1-(2-amino-3-chlorophenyl)-2-chloropropan-1-one
CID 24894470
prop-2-ynyl 2-amino-3-chlorobenzoate
CID 131036184
(2-chlorophenyl)methyl 2-amino-3-chlorobenzoate
CID 115279797
nonyl 2-amino-3-chlorobenzoate
CID 115547766
2-amino-3-chloro-N-(1-phenylethyl)benzamide
CID 82546896
2-amino-3-chloro-N,N-dimethylbenzamide
CID 68799362
(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-amino-3-methylbenzoate
CID 60730477

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-chlorobenzoyl)oxypropanoic acid?
The IUPAC name of 2-(2-amino-3-chlorobenzoyl)oxypropanoic acid (CID 115547818) is 2-(2-amino-3-chlorobenzoyl)oxypropanoic acid.
What is the SMILES notation for 2-(2-amino-3-chlorobenzoyl)oxypropanoic acid?
The canonical SMILES for 2-(2-amino-3-chlorobenzoyl)oxypropanoic acid is CC(OC(=O)c1cccc(Cl)c1N)C(=O)O.
What is the InChIKey of 2-(2-amino-3-chlorobenzoyl)oxypropanoic acid?
The InChIKey is JQXMLUUSOFHZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO4/c1-5(9(13)14)16-10(15)6-3-2-4-7(11)8(6)12/h2-5H,12H2,1H3,(H,13,14).
What are the key properties of 2-(2-amino-3-chlorobenzoyl)oxypropanoic acid?
2-(2-amino-3-chlorobenzoyl)oxypropanoic acid has a molecular weight of 243.65 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-chlorobenzoyl)oxypropanoic acid is sourced from PubChem (CID 115547818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).