[2-(cyclopropylamino)-2-oxoethyl] 2-methoxybenzoate

C13H15NO4 — CID 2715031

IUPAC[2-(cyclopropylamino)-2-oxoethyl] 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)OCC(=O)NC1CC1
InChIInChI=1S/C13H15NO4/c1-17-11-5-3-2-4-10(11)13(16)18-8-12(15)14-9-6-7-9/h2-5,9H,6-8H2,1H3,(H,14,15)
InChIKeyNKLWWKLFSDIIOM-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.13
Rot. Bonds5

About [2-(cyclopropylamino)-2-oxoethyl] 2-methoxybenzoate

[2-(cyclopropylamino)-2-oxoethyl] 2-methoxybenzoate (PubChem CID 2715031) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl] 2-methoxybenzoate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl] 2-methoxybenzoate
PubChem CID2715031
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl] 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)OCC(=O)NC1CC1
InChIInChI=1S/C13H15NO4/c1-17-11-5-3-2-4-10(11)13(16)18-8-12(15)14-9-6-7-9/h2-5,9H,6-8H2,1H3,(H,14,15)
InChIKeyNKLWWKLFSDIIOM-UHFFFAOYSA-N
XLogP1.13
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(cyclopropylamino)-2-oxoethyl] 5-amino-2-methoxybenzoate
CID 61321191
[2-(cyclohexylamino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
CID 18075577
[2-(cyclohexylamino)-2-oxoethyl] 2,3-dimethoxybenzoate
CID 2503827
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7561176
[2-(cyclopropylamino)-2-oxoethyl] 2-methylsulfonylbenzoate
CID 7725286
[2-(cyclopropylamino)-2-oxoethyl] 2-ethylsulfanylbenzoate
CID 8658293
[2-(cyclooctylamino)-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 23876696
[2-(cyclopentylamino)-2-oxoethyl] 5-amino-2-methoxybenzoate
CID 61321950
[2-(cyclopropylamino)-2-oxoethyl] 2-[(4-chlorophenyl)methoxy]benzoate
CID 2100040
2-methoxy-N-[4-[(2-methoxybenzoyl)amino]cyclohexyl]benzamide
CID 1235931
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-methylsulfanylbenzoate
CID 16543862
[2-(cyclohexylamino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 2435041

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2-methoxybenzoate?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2-methoxybenzoate (CID 2715031) is [2-(cyclopropylamino)-2-oxoethyl] 2-methoxybenzoate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl] 2-methoxybenzoate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl] 2-methoxybenzoate is COc1ccccc1C(=O)OCC(=O)NC1CC1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl] 2-methoxybenzoate?
The InChIKey is NKLWWKLFSDIIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c1-17-11-5-3-2-4-10(11)13(16)18-8-12(15)14-9-6-7-9/h2-5,9H,6-8H2,1H3,(H,14,15).
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl] 2-methoxybenzoate?
[2-(cyclopropylamino)-2-oxoethyl] 2-methoxybenzoate has a molecular weight of 249.27 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl] 2-methoxybenzoate is sourced from PubChem (CID 2715031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).