2-oxoethyl 2-(methylamino)benzoate

C10H11NO3 — CID 143044559

IUPAC2-oxoethyl 2-(methylamino)benzoate
SMILESCNc1ccccc1C(=O)OCC=O
InChIInChI=1S/C10H11NO3/c1-11-9-5-3-2-4-8(9)10(13)14-7-6-12/h2-6,11H,7H2,1H3
InChIKeyKAJRUPDLUFAWDW-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.08
Rot. Bonds4

About 2-oxoethyl 2-(methylamino)benzoate

2-oxoethyl 2-(methylamino)benzoate (PubChem CID 143044559) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 2-oxoethyl 2-(methylamino)benzoate.

Molecular Properties

Compound Name2-oxoethyl 2-(methylamino)benzoate
PubChem CID143044559
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name2-oxoethyl 2-(methylamino)benzoate
SMILESCNc1ccccc1C(=O)OCC=O
InChIInChI=1S/C10H11NO3/c1-11-9-5-3-2-4-8(9)10(13)14-7-6-12/h2-6,11H,7H2,1H3
InChIKeyKAJRUPDLUFAWDW-UHFFFAOYSA-N
XLogP1.08
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-iodoethyl 2-(methylamino)benzoate
CID 25050917
methyl 2-(methylamino)benzoate;hydrochloride
CID 141440626
2-oxoethyl 2-methoxybenzoate
CID 87871956
phosphanyl 2-(methylamino)benzoate
CID 174258583
2-propan-2-yloxyethyl 2-(methylamino)benzoate
CID 60643656
(2-chlorophenyl)methyl 2-(methylamino)benzoate
CID 895057
2-methyl-3-(2-oxoethoxycarbonyl)benzoic acid
CID 174713787
3-(2-methoxyethoxy)propyl 2-(methylamino)benzoate
CID 103403616
(4-carbamoylphenyl)methyl 2-(methylamino)benzoate
CID 18136279
(1,3-dioxoisoindol-2-yl)methyl 2-(methylamino)benzoate
CID 16596143
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(methylamino)benzoate
CID 7953752
prop-2-enyl 2-(methoxycarbonylamino)benzoate
CID 101058820

Frequently Asked Questions

What is the IUPAC name of 2-oxoethyl 2-(methylamino)benzoate?
The IUPAC name of 2-oxoethyl 2-(methylamino)benzoate (CID 143044559) is 2-oxoethyl 2-(methylamino)benzoate.
What is the SMILES notation for 2-oxoethyl 2-(methylamino)benzoate?
The canonical SMILES for 2-oxoethyl 2-(methylamino)benzoate is CNc1ccccc1C(=O)OCC=O.
What is the InChIKey of 2-oxoethyl 2-(methylamino)benzoate?
The InChIKey is KAJRUPDLUFAWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-11-9-5-3-2-4-8(9)10(13)14-7-6-12/h2-6,11H,7H2,1H3.
What are the key properties of 2-oxoethyl 2-(methylamino)benzoate?
2-oxoethyl 2-(methylamino)benzoate has a molecular weight of 193.20 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxoethyl 2-(methylamino)benzoate is sourced from PubChem (CID 143044559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).