[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-methoxybenzoate

C19H19NO4 — CID 9414572

IUPAC[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)O[C@H](C(=O)NC1CC1)c1ccccc1
InChIInChI=1S/C19H19NO4/c1-23-16-10-6-5-9-15(16)19(22)24-17(13-7-3-2-4-8-13)18(21)20-14-11-12-14/h2-10,14,17H,11-12H2,1H3,(H,20,21)/t17-/m0/s1
InChIKeyGEWRUSYOBQJRJK-KRWDZBQOSA-N
MW325.36 g/mol
LogP2.87
Rot. Bonds6

About [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-methoxybenzoate

[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-methoxybenzoate (PubChem CID 9414572) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-methoxybenzoate.

Molecular Properties

Compound Name[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-methoxybenzoate
PubChem CID9414572
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)O[C@H](C(=O)NC1CC1)c1ccccc1
InChIInChI=1S/C19H19NO4/c1-23-16-10-6-5-9-15(16)19(22)24-17(13-7-3-2-4-8-13)18(21)20-14-11-12-14/h2-10,14,17H,11-12H2,1H3,(H,20,21)/t17-/m0/s1
InChIKeyGEWRUSYOBQJRJK-KRWDZBQOSA-N
XLogP2.87
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-methoxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2,4-dimethoxybenzoate
CID 55389938
(2S)-N-cyclopropyl-2-(2-methoxyphenoxy)-2-phenylacetamide
CID 9414957
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-ethylsulfanylbenzoate
CID 8722117
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(S)-methylsulfinyl]benzoate
CID 11927503
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate
CID 27724694
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate
CID 27724693
(2S)-N-cyclopropyl-2-methoxy-2-phenylacetamide
CID 958449
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 1-methylindole-3-carboxylate
CID 46827409
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-ethoxy-3-methoxybenzoate
CID 8600938
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2,5-dimethylfuran-3-carboxylate
CID 18198939
[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-methoxybenzoate
CID 2926237
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(thiophene-2-carbonyl)benzoate
CID 8835492

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-methoxybenzoate?
The IUPAC name of [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-methoxybenzoate (CID 9414572) is [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-methoxybenzoate.
What is the SMILES notation for [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-methoxybenzoate?
The canonical SMILES for [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-methoxybenzoate is COc1ccccc1C(=O)O[C@H](C(=O)NC1CC1)c1ccccc1.
What is the InChIKey of [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-methoxybenzoate?
The InChIKey is GEWRUSYOBQJRJK-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H19NO4/c1-23-16-10-6-5-9-15(16)19(22)24-17(13-7-3-2-4-8-13)18(21)20-14-11-12-14/h2-10,14,17H,11-12H2,1H3,(H,20,21)/t17-/m0/s1.
What are the key properties of [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-methoxybenzoate?
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-methoxybenzoate has a molecular weight of 325.36 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-methoxybenzoate is sourced from PubChem (CID 9414572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).