[2-oxo-2-(pentan-3-ylamino)ethyl] 2-hydroxy-3-methoxybenzoate

C15H21NO5 — CID 18075722

IUPAC[2-oxo-2-(pentan-3-ylamino)ethyl] 2-hydroxy-3-methoxybenzoate
SMILESCCC(CC)NC(=O)COC(=O)c1cccc(OC)c1O
InChIInChI=1S/C15H21NO5/c1-4-10(5-2)16-13(17)9-21-15(19)11-7-6-8-12(20-3)14(11)18/h6-8,10,18H,4-5,9H2,1-3H3,(H,16,17)
InChIKeyOHNMXFCBBWVSBW-UHFFFAOYSA-N
MW295.33 g/mol
LogP1.86
Rot. Bonds7

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

[2-oxo-2-(pentan-3-ylamino)ethyl] 2-hydroxy-3-methoxybenzoate (PubChem CID 18075722) has the molecular formula C15H21NO5 and a molecular weight of 295.33 g/mol. Its IUPAC name is [2-oxo-2-(pentan-3-ylamino)ethyl] 2-hydroxy-3-methoxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-(pentan-3-ylamino)ethyl] 2-hydroxy-3-methoxybenzoate
PubChem CID18075722
Molecular FormulaC15H21NO5
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC Name[2-oxo-2-(pentan-3-ylamino)ethyl] 2-hydroxy-3-methoxybenzoate
SMILESCCC(CC)NC(=O)COC(=O)c1cccc(OC)c1O
InChIInChI=1S/C15H21NO5/c1-4-10(5-2)16-13(17)9-21-15(19)11-7-6-8-12(20-3)14(11)18/h6-8,10,18H,4-5,9H2,1-3H3,(H,16,17)
InChIKeyOHNMXFCBBWVSBW-UHFFFAOYSA-N
XLogP1.86
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
CID 18192145
[2-(methylamino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
CID 18075718
[2-oxo-2-(pentan-3-ylamino)ethyl] 4-methoxynaphthalene-1-carboxylate
CID 8596447
[2-oxo-2-(pentan-3-ylamino)ethyl] 3-amino-2-methylbenzoate
CID 61490234
[2-(4-methoxyanilino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
CID 18075546
[2-oxo-2-(2-phenylethylamino)ethyl] 2-hydroxy-3-methoxybenzoate
CID 18075571
[2-(3,4-difluoroanilino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
CID 18075540
[2-oxo-2-(pentan-3-ylamino)ethyl] 2-[(3-methylphenyl)methoxy]benzoate
CID 2500439
[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
CID 18201736
[2-(cyclohexylamino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
CID 18075577
[2-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
CID 43032778
[2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
CID 18192142

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(pentan-3-ylamino)ethyl] 2-hydroxy-3-methoxybenzoate?
The IUPAC name of [2-oxo-2-(pentan-3-ylamino)ethyl] 2-hydroxy-3-methoxybenzoate (CID 18075722) is [2-oxo-2-(pentan-3-ylamino)ethyl] 2-hydroxy-3-methoxybenzoate.
What is the SMILES notation for [2-oxo-2-(pentan-3-ylamino)ethyl] 2-hydroxy-3-methoxybenzoate?
The canonical SMILES for [2-oxo-2-(pentan-3-ylamino)ethyl] 2-hydroxy-3-methoxybenzoate is CCC(CC)NC(=O)COC(=O)c1cccc(OC)c1O.
What is the InChIKey of [2-oxo-2-(pentan-3-ylamino)ethyl] 2-hydroxy-3-methoxybenzoate?
The InChIKey is OHNMXFCBBWVSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-4-10(5-2)16-13(17)9-21-15(19)11-7-6-8-12(20-3)14(11)18/h6-8,10,18H,4-5,9H2,1-3H3,(H,16,17).
What are the key properties of [2-oxo-2-(pentan-3-ylamino)ethyl] 2-hydroxy-3-methoxybenzoate?
[2-oxo-2-(pentan-3-ylamino)ethyl] 2-hydroxy-3-methoxybenzoate has a molecular weight of 295.33 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(pentan-3-ylamino)ethyl] 2-hydroxy-3-methoxybenzoate is sourced from PubChem (CID 18075722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).