[2-oxo-2-(propan-2-ylamino)ethyl] 4-hydroxybenzoate

C12H15NO4 — CID 2428800

IUPAC[2-oxo-2-(propan-2-ylamino)ethyl] 4-hydroxybenzoate
SMILESCC(C)NC(=O)COC(=O)c1ccc(O)cc1
InChIInChI=1S/C12H15NO4/c1-8(2)13-11(15)7-17-12(16)9-3-5-10(14)6-4-9/h3-6,8,14H,7H2,1-2H3,(H,13,15)
InChIKeyBNNMTJRHMDNXCS-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.07
Rot. Bonds4

About [2-oxo-2-(propan-2-ylamino)ethyl] 4-hydroxybenzoate

[2-oxo-2-(propan-2-ylamino)ethyl] 4-hydroxybenzoate (PubChem CID 2428800) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is [2-oxo-2-(propan-2-ylamino)ethyl] 4-hydroxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-(propan-2-ylamino)ethyl] 4-hydroxybenzoate
PubChem CID2428800
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name[2-oxo-2-(propan-2-ylamino)ethyl] 4-hydroxybenzoate
SMILESCC(C)NC(=O)COC(=O)c1ccc(O)cc1
InChIInChI=1S/C12H15NO4/c1-8(2)13-11(15)7-17-12(16)9-3-5-10(14)6-4-9/h3-6,8,14H,7H2,1-2H3,(H,13,15)
InChIKeyBNNMTJRHMDNXCS-UHFFFAOYSA-N
XLogP1.07
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(Acetylamino)ethoxy]benzoic acid
CID 660645
4-Hydroxy-benzoic acid 2-morpholin-4-yl-ethyl ester
CID 825035
p-Hydroxybenzoylcholine
CID 151252
Methyl 4-[(tert-butylcarbamoyl)methoxy]benzoate
CID 2495631
[2-(Benzhydrylamino)-2-oxoethyl] 4-hydroxybenzoate
CID 2352506
(2-Morpholin-4-yl-2-oxoethyl) 4-hydroxybenzoate
CID 2432955
[2-(Cyclopentylamino)-2-oxoethyl] 4-butoxybenzoate
CID 2434464
[2-(2,6-Dimethylmorpholin-4-yl)-2-oxoethyl] 4-hydroxybenzoate
CID 4607377
Methyl 4-[2-(cycloheptylamino)-2-oxoethoxy]benzoate
CID 6459430
2-(Diethylamino)-2-oxoethyl 4-hydroxybenzoate
CID 2299102
[2-Oxo-2-(3-phenylpropylamino)ethyl] 4-ethoxybenzoate
CID 2353649
[2-Oxo-2-(propan-2-ylamino)ethyl] 4-phenoxybenzoate
CID 2405992

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propan-2-ylamino)ethyl] 4-hydroxybenzoate?
The IUPAC name of [2-oxo-2-(propan-2-ylamino)ethyl] 4-hydroxybenzoate (CID 2428800) is [2-oxo-2-(propan-2-ylamino)ethyl] 4-hydroxybenzoate.
What is the SMILES notation for [2-oxo-2-(propan-2-ylamino)ethyl] 4-hydroxybenzoate?
The canonical SMILES for [2-oxo-2-(propan-2-ylamino)ethyl] 4-hydroxybenzoate is CC(C)NC(=O)COC(=O)c1ccc(O)cc1.
What is the InChIKey of [2-oxo-2-(propan-2-ylamino)ethyl] 4-hydroxybenzoate?
The InChIKey is BNNMTJRHMDNXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-8(2)13-11(15)7-17-12(16)9-3-5-10(14)6-4-9/h3-6,8,14H,7H2,1-2H3,(H,13,15).
What are the key properties of [2-oxo-2-(propan-2-ylamino)ethyl] 4-hydroxybenzoate?
[2-oxo-2-(propan-2-ylamino)ethyl] 4-hydroxybenzoate has a molecular weight of 237.25 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propan-2-ylamino)ethyl] 4-hydroxybenzoate is sourced from PubChem (CID 2428800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).