[2-(cyclopropylamino)-2-oxoethyl] 5-amino-2-methoxybenzoate

C13H16N2O4 — CID 61321191

IUPAC[2-(cyclopropylamino)-2-oxoethyl] 5-amino-2-methoxybenzoate
SMILESCOc1ccc(N)cc1C(=O)OCC(=O)NC1CC1
InChIInChI=1S/C13H16N2O4/c1-18-11-5-2-8(14)6-10(11)13(17)19-7-12(16)15-9-3-4-9/h2,5-6,9H,3-4,7,14H2,1H3,(H,15,16)
InChIKeyKETKJGJDDRQWIH-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.71
Rot. Bonds5

About [2-(cyclopropylamino)-2-oxoethyl] 5-amino-2-methoxybenzoate

[2-(cyclopropylamino)-2-oxoethyl] 5-amino-2-methoxybenzoate (PubChem CID 61321191) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl] 5-amino-2-methoxybenzoate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl] 5-amino-2-methoxybenzoate
PubChem CID61321191
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl] 5-amino-2-methoxybenzoate
SMILESCOc1ccc(N)cc1C(=O)OCC(=O)NC1CC1
InChIInChI=1S/C13H16N2O4/c1-18-11-5-2-8(14)6-10(11)13(17)19-7-12(16)15-9-3-4-9/h2,5-6,9H,3-4,7,14H2,1H3,(H,15,16)
InChIKeyKETKJGJDDRQWIH-UHFFFAOYSA-N
XLogP0.71
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [2-(cyclopropylamino)-2-oxoethyl] 5-amino-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-(cyclopentylamino)-2-oxoethyl] 5-amino-2-methoxybenzoate
CID 61321950
[2-(cyclopropylmethylamino)-2-oxoethyl] 5-amino-2-methoxybenzoate
CID 61321763
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7561176
[2-(cyclopropylamino)-2-oxoethyl] 2-methoxybenzoate
CID 2715031
(2-methoxy-2-oxoethyl) 5-amino-2-methoxybenzoate
CID 61323469
[2-(cyclopropylamino)-2-oxoethyl] 4-amino-2-chlorobenzoate
CID 61236477
5-amino-2-methoxy-N-(4-methylcyclohexyl)benzamide
CID 28690128
[2-oxo-2-(propylamino)ethyl] 5-amino-2-methoxybenzoate
CID 61321954
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 7581872
5-amino-N-(4-carbamoylcyclohexyl)-2-methoxybenzamide
CID 61125956
[2-(cyclooctylamino)-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 23876696
[2-oxo-2-(pentan-2-ylamino)ethyl] 5-amino-2-methoxybenzoate
CID 61489769

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 5-amino-2-methoxybenzoate?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 5-amino-2-methoxybenzoate (CID 61321191) is [2-(cyclopropylamino)-2-oxoethyl] 5-amino-2-methoxybenzoate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl] 5-amino-2-methoxybenzoate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl] 5-amino-2-methoxybenzoate is COc1ccc(N)cc1C(=O)OCC(=O)NC1CC1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl] 5-amino-2-methoxybenzoate?
The InChIKey is KETKJGJDDRQWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-18-11-5-2-8(14)6-10(11)13(17)19-7-12(16)15-9-3-4-9/h2,5-6,9H,3-4,7,14H2,1H3,(H,15,16).
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl] 5-amino-2-methoxybenzoate?
[2-(cyclopropylamino)-2-oxoethyl] 5-amino-2-methoxybenzoate has a molecular weight of 264.28 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl] 5-amino-2-methoxybenzoate is sourced from PubChem (CID 61321191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).