(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-amino-3-methylbenzoate

C15H20N2O3 — CID 60730477

IUPAC(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-amino-3-methylbenzoate
SMILESCc1cccc(C(=O)OC(C)C(=O)N2CCCC2)c1N
InChIInChI=1S/C15H20N2O3/c1-10-6-5-7-12(13(10)16)15(19)20-11(2)14(18)17-8-3-4-9-17/h5-7,11H,3-4,8-9,16H2,1-2H3
InChIKeyXFRZZBOHWMTMQW-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.74
Rot. Bonds3

About (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-amino-3-methylbenzoate

(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-amino-3-methylbenzoate (PubChem CID 60730477) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-amino-3-methylbenzoate.

Molecular Properties

Compound Name(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-amino-3-methylbenzoate
PubChem CID60730477
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-amino-3-methylbenzoate
SMILESCc1cccc(C(=O)OC(C)C(=O)N2CCCC2)c1N
InChIInChI=1S/C15H20N2O3/c1-10-6-5-7-12(13(10)16)15(19)20-11(2)14(18)17-8-3-4-9-17/h5-7,11H,3-4,8-9,16H2,1-2H3
InChIKeyXFRZZBOHWMTMQW-UHFFFAOYSA-N
XLogP1.74
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1-oxo-1-piperidin-1-ylpropan-2-yl) 2-aminobenzoate
CID 61322981
[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 2-amino-3-methylbenzoate
CID 18157970
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-amino-3-methylbenzoate
CID 46815266
[1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 2-amino-3-methylbenzoate
CID 17419619
[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-phenoxybenzoate
CID 7950325
[(2R)-1-anilino-1-oxopropan-2-yl] 2-amino-3-methylbenzoate
CID 41013414
[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 3-hydroxybenzoate
CID 7790061
2-(2-amino-3-methylphenyl)sulfinyl-1-pyrrolidin-1-ylpropan-1-one
CID 81187192
[1-(3-methylbutylamino)-1-oxopropan-2-yl] 2-amino-3-methylbenzoate
CID 60719924
[1-(azepan-1-yl)-1-oxopropan-2-yl] 2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylate
CID 42896115
[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-amino-5-nitrobenzoate
CID 25328012
[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl] 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
CID 7582643

Frequently Asked Questions

What is the IUPAC name of (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-amino-3-methylbenzoate?
The IUPAC name of (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-amino-3-methylbenzoate (CID 60730477) is (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-amino-3-methylbenzoate.
What is the SMILES notation for (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-amino-3-methylbenzoate?
The canonical SMILES for (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-amino-3-methylbenzoate is Cc1cccc(C(=O)OC(C)C(=O)N2CCCC2)c1N.
What is the InChIKey of (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-amino-3-methylbenzoate?
The InChIKey is XFRZZBOHWMTMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10-6-5-7-12(13(10)16)15(19)20-11(2)14(18)17-8-3-4-9-17/h5-7,11H,3-4,8-9,16H2,1-2H3.
What are the key properties of (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-amino-3-methylbenzoate?
(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-amino-3-methylbenzoate has a molecular weight of 276.34 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-amino-3-methylbenzoate is sourced from PubChem (CID 60730477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).