[2-[cyclopropyl(methyl)amino]-2-oxoethyl] 3-amino-2-chlorobenzoate

C13H15ClN2O3 — CID 112580307

IUPAC[2-[cyclopropyl(methyl)amino]-2-oxoethyl] 3-amino-2-chlorobenzoate
SMILESCN(C(=O)COC(=O)c1cccc(N)c1Cl)C1CC1
InChIInChI=1S/C13H15ClN2O3/c1-16(8-5-6-8)11(17)7-19-13(18)9-3-2-4-10(15)12(9)14/h2-4,8H,5-7,15H2,1H3
InChIKeyOYWODKLFOCSRNY-UHFFFAOYSA-N
MW282.73 g/mol
LogP1.70
Rot. Bonds4

About [2-[cyclopropyl(methyl)amino]-2-oxoethyl] 3-amino-2-chlorobenzoate

[2-[cyclopropyl(methyl)amino]-2-oxoethyl] 3-amino-2-chlorobenzoate (PubChem CID 112580307) has the molecular formula C13H15ClN2O3 and a molecular weight of 282.73 g/mol. Its IUPAC name is [2-[cyclopropyl(methyl)amino]-2-oxoethyl] 3-amino-2-chlorobenzoate.

Molecular Properties

Compound Name[2-[cyclopropyl(methyl)amino]-2-oxoethyl] 3-amino-2-chlorobenzoate
PubChem CID112580307
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC Name[2-[cyclopropyl(methyl)amino]-2-oxoethyl] 3-amino-2-chlorobenzoate
SMILESCN(C(=O)COC(=O)c1cccc(N)c1Cl)C1CC1
InChIInChI=1S/C13H15ClN2O3/c1-16(8-5-6-8)11(17)7-19-13(18)9-3-2-4-10(15)12(9)14/h2-4,8H,5-7,15H2,1H3
InChIKeyOYWODKLFOCSRNY-UHFFFAOYSA-N
XLogP1.70
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 51.70
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

[2-[cyclopropyl(methyl)amino]-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 47485540
3-amino-2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]benzoic acid
CID 107077203
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-iodobenzoate
CID 71823696
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-fluorobenzoate
CID 23931327
[2-[cyclopropyl(methyl)amino]-2-oxoethyl] 5-amino-2-(dimethylamino)benzoate
CID 61489001
methyl 2-amino-6-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]benzoate
CID 107341890
[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 55372467
2-(2-amino-4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide
CID 54956878
(3-amino-2-chlorophenyl)-[4-(diethylamino)piperidin-1-yl]methanone
CID 115930393
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate
CID 42980409
(6-ethoxy-6-oxohexyl) 3-amino-2-chlorobenzoate
CID 115936135
3-hydroxypropyl 3-amino-2-chlorobenzoate
CID 112580309

Frequently Asked Questions

What is the IUPAC name of [2-[cyclopropyl(methyl)amino]-2-oxoethyl] 3-amino-2-chlorobenzoate?
The IUPAC name of [2-[cyclopropyl(methyl)amino]-2-oxoethyl] 3-amino-2-chlorobenzoate (CID 112580307) is [2-[cyclopropyl(methyl)amino]-2-oxoethyl] 3-amino-2-chlorobenzoate.
What is the SMILES notation for [2-[cyclopropyl(methyl)amino]-2-oxoethyl] 3-amino-2-chlorobenzoate?
The canonical SMILES for [2-[cyclopropyl(methyl)amino]-2-oxoethyl] 3-amino-2-chlorobenzoate is CN(C(=O)COC(=O)c1cccc(N)c1Cl)C1CC1.
What is the InChIKey of [2-[cyclopropyl(methyl)amino]-2-oxoethyl] 3-amino-2-chlorobenzoate?
The InChIKey is OYWODKLFOCSRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3/c1-16(8-5-6-8)11(17)7-19-13(18)9-3-2-4-10(15)12(9)14/h2-4,8H,5-7,15H2,1H3.
What are the key properties of [2-[cyclopropyl(methyl)amino]-2-oxoethyl] 3-amino-2-chlorobenzoate?
[2-[cyclopropyl(methyl)amino]-2-oxoethyl] 3-amino-2-chlorobenzoate has a molecular weight of 282.73 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclopropyl(methyl)amino]-2-oxoethyl] 3-amino-2-chlorobenzoate is sourced from PubChem (CID 112580307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).