tert-butyl 2-[4-[1-(hydroxyamino)ethyl]phenyl]acetate

C14H21NO3 — CID 118421994

IUPACtert-butyl 2-[4-[1-(hydroxyamino)ethyl]phenyl]acetate
SMILESCC(NO)c1ccc(CC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C14H21NO3/c1-10(15-17)12-7-5-11(6-8-12)9-13(16)18-14(2,3)4/h5-8,10,15,17H,9H2,1-4H3
InChIKeyIPEUUQYEHQHLOP-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.61
Rot. Bonds4

About tert-butyl 2-[4-[1-(hydroxyamino)ethyl]phenyl]acetate

tert-butyl 2-[4-[1-(hydroxyamino)ethyl]phenyl]acetate (PubChem CID 118421994) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is tert-butyl 2-[4-[1-(hydroxyamino)ethyl]phenyl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[4-[1-(hydroxyamino)ethyl]phenyl]acetate
PubChem CID118421994
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Nametert-butyl 2-[4-[1-(hydroxyamino)ethyl]phenyl]acetate
SMILESCC(NO)c1ccc(CC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C14H21NO3/c1-10(15-17)12-7-5-11(6-8-12)9-13(16)18-14(2,3)4/h5-8,10,15,17H,9H2,1-4H3
InChIKeyIPEUUQYEHQHLOP-UHFFFAOYSA-N
XLogP2.61
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 2-[4-(2-oxoethyl)phenyl]acetate
CID 159057903
tert-butyl 2-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]acetate
CID 161289804
tert-butyl N-[1-[4-(hydroxymethyl)phenyl]ethyl]carbamate
CID 58393122
tert-butyl 2-[4-(2-amino-2-hydroxyiminoethyl)phenyl]acetate
CID 129497400
tert-butyl 2-[4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]acetate
CID 121207700
tert-butyl N-[1-[4-(2-methylpropyl)phenyl]ethyl]carbamate
CID 10516674
tert-butyl 2-[4-[2-[4-[4-[2-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]-2-oxoethyl]anilino]phenyl]acetyl]phenyl]acetate
CID 160654875
tert-butyl N-[1-[4-(chloromethyl)phenyl]ethyl]carbamate
CID 89479163
tert-butyl 2-[4-(1-methylcyclopropyl)phenyl]acetate
CID 118560274
tert-butyl 2-[4-(1-hydroxycyclopropyl)phenyl]acetate
CID 118560566
(2S)-2-amino-2-methyl-3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]propanoic acid
CID 10803655
tert-butyl 2-[4-[bis(2-hydroxyethyl)amino]phenyl]acetate
CID 10756299

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[4-[1-(hydroxyamino)ethyl]phenyl]acetate?
The IUPAC name of tert-butyl 2-[4-[1-(hydroxyamino)ethyl]phenyl]acetate (CID 118421994) is tert-butyl 2-[4-[1-(hydroxyamino)ethyl]phenyl]acetate.
What is the SMILES notation for tert-butyl 2-[4-[1-(hydroxyamino)ethyl]phenyl]acetate?
The canonical SMILES for tert-butyl 2-[4-[1-(hydroxyamino)ethyl]phenyl]acetate is CC(NO)c1ccc(CC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl 2-[4-[1-(hydroxyamino)ethyl]phenyl]acetate?
The InChIKey is IPEUUQYEHQHLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10(15-17)12-7-5-11(6-8-12)9-13(16)18-14(2,3)4/h5-8,10,15,17H,9H2,1-4H3.
What are the key properties of tert-butyl 2-[4-[1-(hydroxyamino)ethyl]phenyl]acetate?
tert-butyl 2-[4-[1-(hydroxyamino)ethyl]phenyl]acetate has a molecular weight of 251.33 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[4-[1-(hydroxyamino)ethyl]phenyl]acetate is sourced from PubChem (CID 118421994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).