tert-butyl N-[3-[(2R)-4-hydroxyiminobutan-2-yl]phenyl]carbamate

C15H22N2O3 — CID 150183967

IUPACtert-butyl N-[3-[(2R)-4-hydroxyiminobutan-2-yl]phenyl]carbamate
SMILESC[C@H](CC=NO)c1cccc(NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C15H22N2O3/c1-11(8-9-16-19)12-6-5-7-13(10-12)17-14(18)20-15(2,3)4/h5-7,9-11,19H,8H2,1-4H3,(H,17,18)/t11-/m1/s1
InChIKeyFLZYQHMVABGTBO-LLVKDONJSA-N
MW278.35 g/mol
LogP3.99
Rot. Bonds4

About tert-butyl N-[3-[(2R)-4-hydroxyiminobutan-2-yl]phenyl]carbamate

tert-butyl N-[3-[(2R)-4-hydroxyiminobutan-2-yl]phenyl]carbamate (PubChem CID 150183967) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is tert-butyl N-[3-[(2R)-4-hydroxyiminobutan-2-yl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(2R)-4-hydroxyiminobutan-2-yl]phenyl]carbamate
PubChem CID150183967
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Nametert-butyl N-[3-[(2R)-4-hydroxyiminobutan-2-yl]phenyl]carbamate
SMILESC[C@H](CC=NO)c1cccc(NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C15H22N2O3/c1-11(8-9-16-19)12-6-5-7-13(10-12)17-14(18)20-15(2,3)4/h5-7,9-11,19H,8H2,1-4H3,(H,17,18)/t11-/m1/s1
InChIKeyFLZYQHMVABGTBO-LLVKDONJSA-N
XLogP3.99
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[3-(4-hydroxybutan-2-yl)phenyl]carbamate
CID 139349481
tert-butyl N-[3-[(2R)-4-hydroxybutan-2-yl]phenyl]carbamate
CID 139349721
tert-butyl N-[3-(4-chloro-4-hydroxyiminobutan-2-yl)phenyl]carbamate
CID 139349679
tert-butyl N-[3-[(1S)-1-amino-2,2,2-trifluoroethyl]phenyl]carbamate
CID 66511950
3-amino-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoic acid
CID 117450051
tert-butyl N-[3-[hydroxy-(4-methylphenyl)methyl]phenyl]carbamate
CID 155571892
tert-butyl N-[1-(3-acetamidophenyl)ethyl]carbamate
CID 63788679
tert-butyl N-[3-(2,2-dimethylpropylamino)phenyl]carbamate
CID 107239782
methyl N-[3-(4-aminobutan-2-yl)phenyl]carbamate
CID 115004244
tert-butyl N-(3-sulfanylphenyl)carbamate
CID 11436060
potassium trifluoro-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl]boranuide
CID 171374143
tert-butyl N-(3-ethoxyphenyl)carbamate
CID 17098158

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(2R)-4-hydroxyiminobutan-2-yl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(2R)-4-hydroxyiminobutan-2-yl]phenyl]carbamate (CID 150183967) is tert-butyl N-[3-[(2R)-4-hydroxyiminobutan-2-yl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(2R)-4-hydroxyiminobutan-2-yl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(2R)-4-hydroxyiminobutan-2-yl]phenyl]carbamate is C[C@H](CC=NO)c1cccc(NC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-[3-[(2R)-4-hydroxyiminobutan-2-yl]phenyl]carbamate?
The InChIKey is FLZYQHMVABGTBO-LLVKDONJSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(8-9-16-19)12-6-5-7-13(10-12)17-14(18)20-15(2,3)4/h5-7,9-11,19H,8H2,1-4H3,(H,17,18)/t11-/m1/s1.
What are the key properties of tert-butyl N-[3-[(2R)-4-hydroxyiminobutan-2-yl]phenyl]carbamate?
tert-butyl N-[3-[(2R)-4-hydroxyiminobutan-2-yl]phenyl]carbamate has a molecular weight of 278.35 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(2R)-4-hydroxyiminobutan-2-yl]phenyl]carbamate is sourced from PubChem (CID 150183967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).