tert-butyl (4R)-4-[(1S)-1-[benzyl(hydroxy)amino]ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C19H30N2O4 — CID 10948103

IUPACtert-butyl (4R)-4-[(1S)-1-[benzyl(hydroxy)amino]ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESC[C@@H]([C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C)N(O)Cc1ccccc1
InChIInChI=1S/C19H30N2O4/c1-14(20(23)12-15-10-8-7-9-11-15)16-13-24-19(5,6)21(16)17(22)25-18(2,3)4/h7-11,14,16,23H,12-13H2,1-6H3/t14-,16-/m0/s1
InChIKeyYKHNOMFKCCIYDP-HOCLYGCPSA-N
MW350.46 g/mol
LogP3.64
Rot. Bonds4

About tert-butyl (4R)-4-[(1S)-1-[benzyl(hydroxy)amino]ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4R)-4-[(1S)-1-[benzyl(hydroxy)amino]ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 10948103) has the molecular formula C19H30N2O4 and a molecular weight of 350.46 g/mol. Its IUPAC name is tert-butyl (4R)-4-[(1S)-1-[benzyl(hydroxy)amino]ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-4-[(1S)-1-[benzyl(hydroxy)amino]ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID10948103
Molecular FormulaC19H30N2O4
Molecular Weight350.46 g/mol
Exact Mass350.22
IUPAC Nametert-butyl (4R)-4-[(1S)-1-[benzyl(hydroxy)amino]ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESC[C@@H]([C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C)N(O)Cc1ccccc1
InChIInChI=1S/C19H30N2O4/c1-14(20(23)12-15-10-8-7-9-11-15)16-13-24-19(5,6)21(16)17(22)25-18(2,3)4/h7-11,14,16,23H,12-13H2,1-6H3/t14-,16-/m0/s1
InChIKeyYKHNOMFKCCIYDP-HOCLYGCPSA-N
XLogP3.64
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl (4R)-4-[(1S)-1-[benzyl(hydroxy)amino]ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-3-Benzylamino-4-hydroxy-pyrrolidine-1-carboxylic acid tert-butyl ester
CID 25219891
(R)-3-(4-((cyclohexyl(methyl)amino)methyl)benzyl)-5-methyloxazolidin-2-one
CID 44591685
tert-butyl (3S,4S)-3-(benzylamino)-4-hydroxypyrrolidine-1-carboxylate
CID 11277777
(4S)-3-benzyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10704100
Jglqlanqixuqod-rdgatrhjsa-
CID 23243584
3-(Dibenzylamino)propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 11058677
3-Benzyl-4-methyl-1,3-oxazolidin-2-one
CID 12146637
tert-butyl (2S)-2-[(1S)-1-[benzyl(hydroxy)amino]ethyl]pyrrolidine-1-carboxylate
CID 88041450
N-Benzyl-N-cyclopentyl-2-[(4S)-4-isopropyl-2-oxo-1,3-oxazolidin-3-YL]acetamide
CID 72901400
8-[(2S)-4-methoxybutan-2-yl]-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 95880603
1-benzyl-3-(N-BOC-N-(2-fluoroethyl)amino)pyrrolidine
CID 19691421
1,1-Dimethylethyl (3S)-3-((3R)-tetrahydrofuran-3-yl{[2-(trifluoromethyl)phenyl]methyl}amino)pyrrolidine-1-carboxylate
CID 86609373

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-4-[(1S)-1-[benzyl(hydroxy)amino]ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4R)-4-[(1S)-1-[benzyl(hydroxy)amino]ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 10948103) is tert-butyl (4R)-4-[(1S)-1-[benzyl(hydroxy)amino]ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R)-4-[(1S)-1-[benzyl(hydroxy)amino]ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R)-4-[(1S)-1-[benzyl(hydroxy)amino]ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is C[C@@H]([C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C)N(O)Cc1ccccc1.
What is the InChIKey of tert-butyl (4R)-4-[(1S)-1-[benzyl(hydroxy)amino]ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is YKHNOMFKCCIYDP-HOCLYGCPSA-N. The full InChI is InChI=1S/C19H30N2O4/c1-14(20(23)12-15-10-8-7-9-11-15)16-13-24-19(5,6)21(16)17(22)25-18(2,3)4/h7-11,14,16,23H,12-13H2,1-6H3/t14-,16-/m0/s1.
What are the key properties of tert-butyl (4R)-4-[(1S)-1-[benzyl(hydroxy)amino]ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4R)-4-[(1S)-1-[benzyl(hydroxy)amino]ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 350.46 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-4-[(1S)-1-[benzyl(hydroxy)amino]ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 10948103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).