[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 3-hydroxybenzoate

C14H18N2O5 — CID 7790099

IUPAC[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 3-hydroxybenzoate
SMILESCC(C)CNC(=O)NC(=O)COC(=O)c1cccc(O)c1
InChIInChI=1S/C14H18N2O5/c1-9(2)7-15-14(20)16-12(18)8-21-13(19)10-4-3-5-11(17)6-10/h3-6,9,17H,7-8H2,1-2H3,(H2,15,16,18,20)
InChIKeyMDNJFCUBPDXGGL-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.03
Rot. Bonds5

About [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 3-hydroxybenzoate

[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 3-hydroxybenzoate (PubChem CID 7790099) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 3-hydroxybenzoate.

Molecular Properties

Compound Name[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 3-hydroxybenzoate
PubChem CID7790099
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 3-hydroxybenzoate
SMILESCC(C)CNC(=O)NC(=O)COC(=O)c1cccc(O)c1
InChIInChI=1S/C14H18N2O5/c1-9(2)7-15-14(20)16-12(18)8-21-13(19)10-4-3-5-11(17)6-10/h3-6,9,17H,7-8H2,1-2H3,(H2,15,16,18,20)
InChIKeyMDNJFCUBPDXGGL-UHFFFAOYSA-N
XLogP1.03
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-(2-methylpropyl)benzoate
CID 8538101
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-(propan-2-yloxymethyl)benzoate
CID 8985884
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] naphthalene-1-carboxylate
CID 2558366
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-formylbenzoate
CID 2504422
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8727903
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-(carbamoylamino)benzoate
CID 2527547
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] benzoate
CID 2516996
[2-(2-methylpropylamino)-2-oxoethyl] 3-fluorobenzoate
CID 4125940
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(methylamino)benzoate
CID 7670898
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate
CID 2615149
[2-oxo-2-(pentan-2-ylamino)ethyl] 3-hydroxybenzoate
CID 18073982
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2,3-dichlorobenzoate
CID 2487334

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 3-hydroxybenzoate?
The IUPAC name of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 3-hydroxybenzoate (CID 7790099) is [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 3-hydroxybenzoate.
What is the SMILES notation for [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 3-hydroxybenzoate?
The canonical SMILES for [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 3-hydroxybenzoate is CC(C)CNC(=O)NC(=O)COC(=O)c1cccc(O)c1.
What is the InChIKey of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 3-hydroxybenzoate?
The InChIKey is MDNJFCUBPDXGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-9(2)7-15-14(20)16-12(18)8-21-13(19)10-4-3-5-11(17)6-10/h3-6,9,17H,7-8H2,1-2H3,(H2,15,16,18,20).
What are the key properties of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 3-hydroxybenzoate?
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 3-hydroxybenzoate has a molecular weight of 294.31 g/mol, XLogP of 1.03, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 3-hydroxybenzoate is sourced from PubChem (CID 7790099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).