[2-oxo-2-(pentan-2-ylamino)ethyl] 3-hydroxybenzoate

C14H19NO4 — CID 18073982

IUPAC[2-oxo-2-(pentan-2-ylamino)ethyl] 3-hydroxybenzoate
SMILESCCCC(C)NC(=O)COC(=O)c1cccc(O)c1
InChIInChI=1S/C14H19NO4/c1-3-5-10(2)15-13(17)9-19-14(18)11-6-4-7-12(16)8-11/h4,6-8,10,16H,3,5,9H2,1-2H3,(H,15,17)
InChIKeyGLOCPNSSWGNMGD-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.85
Rot. Bonds6

About [2-oxo-2-(pentan-2-ylamino)ethyl] 3-hydroxybenzoate

[2-oxo-2-(pentan-2-ylamino)ethyl] 3-hydroxybenzoate (PubChem CID 18073982) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is [2-oxo-2-(pentan-2-ylamino)ethyl] 3-hydroxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-(pentan-2-ylamino)ethyl] 3-hydroxybenzoate
PubChem CID18073982
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name[2-oxo-2-(pentan-2-ylamino)ethyl] 3-hydroxybenzoate
SMILESCCCC(C)NC(=O)COC(=O)c1cccc(O)c1
InChIInChI=1S/C14H19NO4/c1-3-5-10(2)15-13(17)9-19-14(18)11-6-4-7-12(16)8-11/h4,6-8,10,16H,3,5,9H2,1-2H3,(H,15,17)
InChIKeyGLOCPNSSWGNMGD-UHFFFAOYSA-N
XLogP1.85
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 3-hydroxybenzoate
CID 7483706
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 3-phenoxybenzoate
CID 2511439
[2-oxo-2-(pentan-2-ylamino)ethyl] 3-pyrrol-1-ylbenzoate
CID 18199730
[2-oxo-2-(pentan-2-ylamino)ethyl] 3-(ethylsulfamoyl)benzoate
CID 42900495
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2,3-dimethylquinoxaline-6-carboxylate
CID 7717059
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 3-(benzenesulfonamido)benzoate
CID 7247756
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 3-(benzenesulfonamido)benzoate
CID 7247757
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 3-bromo-4-methoxybenzoate
CID 7647895
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8727203
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2577548
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 3-(thiophene-2-carbonylamino)benzoate
CID 7888749
[2-oxo-2-(pentan-2-ylamino)ethyl] 4-phenoxybenzoate
CID 18073988

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(pentan-2-ylamino)ethyl] 3-hydroxybenzoate?
The IUPAC name of [2-oxo-2-(pentan-2-ylamino)ethyl] 3-hydroxybenzoate (CID 18073982) is [2-oxo-2-(pentan-2-ylamino)ethyl] 3-hydroxybenzoate.
What is the SMILES notation for [2-oxo-2-(pentan-2-ylamino)ethyl] 3-hydroxybenzoate?
The canonical SMILES for [2-oxo-2-(pentan-2-ylamino)ethyl] 3-hydroxybenzoate is CCCC(C)NC(=O)COC(=O)c1cccc(O)c1.
What is the InChIKey of [2-oxo-2-(pentan-2-ylamino)ethyl] 3-hydroxybenzoate?
The InChIKey is GLOCPNSSWGNMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-3-5-10(2)15-13(17)9-19-14(18)11-6-4-7-12(16)8-11/h4,6-8,10,16H,3,5,9H2,1-2H3,(H,15,17).
What are the key properties of [2-oxo-2-(pentan-2-ylamino)ethyl] 3-hydroxybenzoate?
[2-oxo-2-(pentan-2-ylamino)ethyl] 3-hydroxybenzoate has a molecular weight of 265.31 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(pentan-2-ylamino)ethyl] 3-hydroxybenzoate is sourced from PubChem (CID 18073982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).