[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-hydroxybenzoate

C13H14N2O5 — CID 7797585

IUPAC[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-hydroxybenzoate
SMILESO=C(COC(=O)c1ccccc1O)NC(=O)NC1CC1
InChIInChI=1S/C13H14N2O5/c16-10-4-2-1-3-9(10)12(18)20-7-11(17)15-13(19)14-8-5-6-8/h1-4,8,16H,5-7H2,(H2,14,15,17,19)
InChIKeyRHLRKBHMPVMEHH-UHFFFAOYSA-N
MW278.26 g/mol
LogP0.54
Rot. Bonds4

About [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-hydroxybenzoate

[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-hydroxybenzoate (PubChem CID 7797585) has the molecular formula C13H14N2O5 and a molecular weight of 278.26 g/mol. Its IUPAC name is [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-hydroxybenzoate.

Molecular Properties

Compound Name[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-hydroxybenzoate
PubChem CID7797585
Molecular FormulaC13H14N2O5
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Name[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-hydroxybenzoate
SMILESO=C(COC(=O)c1ccccc1O)NC(=O)NC1CC1
InChIInChI=1S/C13H14N2O5/c16-10-4-2-1-3-9(10)12(18)20-7-11(17)15-13(19)14-8-5-6-8/h1-4,8,16H,5-7H2,(H2,14,15,17,19)
InChIKeyRHLRKBHMPVMEHH-UHFFFAOYSA-N
XLogP0.54
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 7567304
[2-[[(1R,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 2-hydroxybenzoate
CID 7798258
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 7771385
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2648611
[2-(carbamoylamino)-2-oxoethyl] 2-hydroxybenzoate
CID 7890640
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(difluoromethylsulfanyl)benzoate
CID 8983827
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate
CID 7890943
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylbenzoate
CID 8665647
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-[(S)-ethylsulfinyl]benzoate
CID 11916330
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzoate
CID 7805161
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 3-chlorobenzoate
CID 7838563
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
CID 8596658

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-hydroxybenzoate?
The IUPAC name of [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-hydroxybenzoate (CID 7797585) is [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-hydroxybenzoate.
What is the SMILES notation for [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-hydroxybenzoate?
The canonical SMILES for [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-hydroxybenzoate is O=C(COC(=O)c1ccccc1O)NC(=O)NC1CC1.
What is the InChIKey of [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-hydroxybenzoate?
The InChIKey is RHLRKBHMPVMEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5/c16-10-4-2-1-3-9(10)12(18)20-7-11(17)15-13(19)14-8-5-6-8/h1-4,8,16H,5-7H2,(H2,14,15,17,19).
What are the key properties of [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-hydroxybenzoate?
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-hydroxybenzoate has a molecular weight of 278.26 g/mol, XLogP of 0.54, 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-hydroxybenzoate is sourced from PubChem (CID 7797585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).