[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate

C14H16N2O5 — CID 7567304

IUPAC[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)NC(=O)NC2CC2)c(O)c1
InChIInChI=1S/C14H16N2O5/c1-8-2-5-10(11(17)6-8)13(19)21-7-12(18)16-14(20)15-9-3-4-9/h2,5-6,9,17H,3-4,7H2,1H3,(H2,15,16,18,20)
InChIKeyOHDDYXIBHRFOPF-UHFFFAOYSA-N
MW292.29 g/mol
LogP0.85
Rot. Bonds4

About [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate

[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate (PubChem CID 7567304) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate.

Molecular Properties

Compound Name[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
PubChem CID7567304
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)NC(=O)NC2CC2)c(O)c1
InChIInChI=1S/C14H16N2O5/c1-8-2-5-10(11(17)6-8)13(19)21-7-12(18)16-14(20)15-9-3-4-9/h2,5-6,9,17H,3-4,7H2,1H3,(H2,15,16,18,20)
InChIKeyOHDDYXIBHRFOPF-UHFFFAOYSA-N
XLogP0.85
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2648611
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 7771385
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-hydroxybenzoate
CID 7797585
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2611623
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 7581872
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 3,4-dimethylbenzoate
CID 8708768
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 8581768
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 4-chloro-2-hydroxybenzoate
CID 7500066
(2-amino-2-oxoethyl) 2-hydroxy-4-methylbenzoate
CID 2469983
[2-[[(1R,2S,3R)-2,3-dimethylcyclohexyl]carbamoylamino]-2-oxoethyl] 2,4-dihydroxybenzoate
CID 9467892
[2-(cyclopentylamino)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 2536840
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate
CID 16518395

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate?
The IUPAC name of [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate (CID 7567304) is [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate.
What is the SMILES notation for [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate?
The canonical SMILES for [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate is Cc1ccc(C(=O)OCC(=O)NC(=O)NC2CC2)c(O)c1.
What is the InChIKey of [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate?
The InChIKey is OHDDYXIBHRFOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c1-8-2-5-10(11(17)6-8)13(19)21-7-12(18)16-14(20)15-9-3-4-9/h2,5-6,9,17H,3-4,7H2,1H3,(H2,15,16,18,20).
What are the key properties of [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate?
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate has a molecular weight of 292.29 g/mol, XLogP of 0.85, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate is sourced from PubChem (CID 7567304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).