[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 3-chlorobenzoate

C13H13ClN2O4 — CID 7838563

IUPAC[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 3-chlorobenzoate
SMILESO=C(COC(=O)c1cccc(Cl)c1)NC(=O)NC1CC1
InChIInChI=1S/C13H13ClN2O4/c14-9-3-1-2-8(6-9)12(18)20-7-11(17)16-13(19)15-10-4-5-10/h1-3,6,10H,4-5,7H2,(H2,15,16,17,19)
InChIKeySGTSYTOUMSXVFS-UHFFFAOYSA-N
MW296.71 g/mol
LogP1.49
Rot. Bonds4

About [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 3-chlorobenzoate

[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 3-chlorobenzoate (PubChem CID 7838563) has the molecular formula C13H13ClN2O4 and a molecular weight of 296.71 g/mol. Its IUPAC name is [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 3-chlorobenzoate.

Molecular Properties

Compound Name[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 3-chlorobenzoate
PubChem CID7838563
Molecular FormulaC13H13ClN2O4
Molecular Weight296.71 g/mol
Exact Mass296.06
IUPAC Name[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 3-chlorobenzoate
SMILESO=C(COC(=O)c1cccc(Cl)c1)NC(=O)NC1CC1
InChIInChI=1S/C13H13ClN2O4/c14-9-3-1-2-8(6-9)12(18)20-7-11(17)16-13(19)15-10-4-5-10/h1-3,6,10H,4-5,7H2,(H2,15,16,17,19)
InChIKeySGTSYTOUMSXVFS-UHFFFAOYSA-N
XLogP1.49
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.71
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(cycloheptylamino)-2-oxoethyl] 3-chlorobenzoate
CID 2121282
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 3,4-dimethylbenzoate
CID 8708768
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 3-(propan-2-ylsulfamoyl)benzoate
CID 7768037
[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 3-chlorobenzoate
CID 2628119
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 7581872
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8620254
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(methylsulfonylmethyl)benzoate
CID 8836797
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 3-chlorobenzoate
CID 2503845
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-hydroxybenzoate
CID 7797585
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate
CID 8815839
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] pyridine-3-carboxylate
CID 9413621
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2,3-dihydro-1H-indene-5-carboxylate
CID 9010356

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 3-chlorobenzoate?
The IUPAC name of [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 3-chlorobenzoate (CID 7838563) is [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 3-chlorobenzoate.
What is the SMILES notation for [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 3-chlorobenzoate?
The canonical SMILES for [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 3-chlorobenzoate is O=C(COC(=O)c1cccc(Cl)c1)NC(=O)NC1CC1.
What is the InChIKey of [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 3-chlorobenzoate?
The InChIKey is SGTSYTOUMSXVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O4/c14-9-3-1-2-8(6-9)12(18)20-7-11(17)16-13(19)15-10-4-5-10/h1-3,6,10H,4-5,7H2,(H2,15,16,17,19).
What are the key properties of [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 3-chlorobenzoate?
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 3-chlorobenzoate has a molecular weight of 296.71 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 3-chlorobenzoate is sourced from PubChem (CID 7838563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).