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

C14H19NO4 — CID 2629654

IUPAC[2-(3-methylbutylamino)-2-oxoethyl] 2-hydroxybenzoate
SMILESCC(C)CCNC(=O)COC(=O)c1ccccc1O
InChIInChI=1S/C14H19NO4/c1-10(2)7-8-15-13(17)9-19-14(18)11-5-3-4-6-12(11)16/h3-6,10,16H,7-9H2,1-2H3,(H,15,17)
InChIKeyQOZVRUIDQAEEON-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.71
Rot. Bonds6

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

[2-(3-methylbutylamino)-2-oxoethyl] 2-hydroxybenzoate (PubChem CID 2629654) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is [2-(3-methylbutylamino)-2-oxoethyl] 2-hydroxybenzoate.

Molecular Properties

Compound Name[2-(3-methylbutylamino)-2-oxoethyl] 2-hydroxybenzoate
PubChem CID2629654
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name[2-(3-methylbutylamino)-2-oxoethyl] 2-hydroxybenzoate
SMILESCC(C)CCNC(=O)COC(=O)c1ccccc1O
InChIInChI=1S/C14H19NO4/c1-10(2)7-8-15-13(17)9-19-14(18)11-5-3-4-6-12(11)16/h3-6,10,16H,7-9H2,1-2H3,(H,15,17)
InChIKeyQOZVRUIDQAEEON-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-methylbutylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2611578
[2-(3-methylbutylamino)-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate
CID 2558714
[2-(3-methylbutylamino)-2-oxoethyl] 2,3-dimethoxybenzoate
CID 2528100
[2-(3-methylbutylamino)-2-oxoethyl] 2-amino-5-bromobenzoate
CID 7149206
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-methoxybenzoate
CID 2627819
[2-(3-methylbutylamino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate
CID 42470089
[2-(3-methylbutylamino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2573495
[2-(3-methylbutylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate
CID 7457283
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2611623
[2-(3-methylbutylamino)-2-oxoethyl] 2-[(4-cyanophenyl)methylsulfanyl]benzoate
CID 7624332
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 8604174
2-[2-(3-methylbutylamino)-2-oxoethoxy]benzoic acid
CID 43214287

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylbutylamino)-2-oxoethyl] 2-hydroxybenzoate?
The IUPAC name of [2-(3-methylbutylamino)-2-oxoethyl] 2-hydroxybenzoate (CID 2629654) is [2-(3-methylbutylamino)-2-oxoethyl] 2-hydroxybenzoate.
What is the SMILES notation for [2-(3-methylbutylamino)-2-oxoethyl] 2-hydroxybenzoate?
The canonical SMILES for [2-(3-methylbutylamino)-2-oxoethyl] 2-hydroxybenzoate is CC(C)CCNC(=O)COC(=O)c1ccccc1O.
What is the InChIKey of [2-(3-methylbutylamino)-2-oxoethyl] 2-hydroxybenzoate?
The InChIKey is QOZVRUIDQAEEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-10(2)7-8-15-13(17)9-19-14(18)11-5-3-4-6-12(11)16/h3-6,10,16H,7-9H2,1-2H3,(H,15,17).
What are the key properties of [2-(3-methylbutylamino)-2-oxoethyl] 2-hydroxybenzoate?
[2-(3-methylbutylamino)-2-oxoethyl] 2-hydroxybenzoate has a molecular weight of 265.31 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylbutylamino)-2-oxoethyl] 2-hydroxybenzoate is sourced from PubChem (CID 2629654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).