[2-(2-methylpropylamino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate

C14H19NO4 — CID 2369755

IUPAC[2-(2-methylpropylamino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
SMILESCc1cccc(C(=O)OCC(=O)NCC(C)C)c1O
InChIInChI=1S/C14H19NO4/c1-9(2)7-15-12(16)8-19-14(18)11-6-4-5-10(3)13(11)17/h4-6,9,17H,7-8H2,1-3H3,(H,15,16)
InChIKeyGSTMBRYVTGDDKR-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.63
Rot. Bonds5

About [2-(2-methylpropylamino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate

[2-(2-methylpropylamino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate (PubChem CID 2369755) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is [2-(2-methylpropylamino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate.

Molecular Properties

Compound Name[2-(2-methylpropylamino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
PubChem CID2369755
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name[2-(2-methylpropylamino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
SMILESCc1cccc(C(=O)OCC(=O)NCC(C)C)c1O
InChIInChI=1S/C14H19NO4/c1-9(2)7-15-12(16)8-19-14(18)11-6-4-5-10(3)13(11)17/h4-6,9,17H,7-8H2,1-3H3,(H,15,16)
InChIKeyGSTMBRYVTGDDKR-UHFFFAOYSA-N
XLogP1.63
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-Morpholin-4-yl-2-oxoethyl) 2-hydroxybenzoate
CID 2094810
Morpholine salicylate
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[2-Oxo-2-(3-phenylpropylamino)ethyl] 2-hydroxybenzoate
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[2-(Azepan-1-yl)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
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[2-Oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-hydroxy-3-methylbenzoate
CID 2631392
[2-(Cyclohexylmethylamino)-2-oxoethyl] 2-ethoxybenzoate
CID 2636785
[2-(1-Adamantylamino)-2-oxoethyl] 2-hydroxybenzoate
CID 4103005
[2-(Cyclopentylamino)-2-oxoethyl] 2-methoxybenzoate
CID 4162556
(2-Benzamido-2-oxoethyl) 2-hydroxy-3-methylbenzoate
CID 7416144
(2-Oxo-2-pyrrolidin-1-ylethyl) 2-hydroxybenzoate
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[2-Oxo-2-(pentan-3-ylamino)ethyl] 2-hydroxy-3-methylbenzoate
CID 2407419

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropylamino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate?
The IUPAC name of [2-(2-methylpropylamino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate (CID 2369755) is [2-(2-methylpropylamino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate.
What is the SMILES notation for [2-(2-methylpropylamino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate?
The canonical SMILES for [2-(2-methylpropylamino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate is Cc1cccc(C(=O)OCC(=O)NCC(C)C)c1O.
What is the InChIKey of [2-(2-methylpropylamino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate?
The InChIKey is GSTMBRYVTGDDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-9(2)7-15-12(16)8-19-14(18)11-6-4-5-10(3)13(11)17/h4-6,9,17H,7-8H2,1-3H3,(H,15,16).
What are the key properties of [2-(2-methylpropylamino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate?
[2-(2-methylpropylamino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate has a molecular weight of 265.31 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropylamino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate is sourced from PubChem (CID 2369755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).