tert-butyl N-[(2S)-1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]hexan-2-yl]carbamate

C17H32N2O4 — CID 139253359

IUPACtert-butyl N-[(2S)-1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]hexan-2-yl]carbamate
SMILESCCCC[C@@H](CN1C(=O)OC[C@@H]1C(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C17H32N2O4/c1-7-8-9-13(18-15(20)23-17(4,5)6)10-19-14(12(2)3)11-22-16(19)21/h12-14H,7-11H2,1-6H3,(H,18,20)/t13-,14+/m0/s1
InChIKeyIDFKEUBNKGNRLP-UONOGXRCSA-N
MW328.45 g/mol
LogP3.55
Rot. Bonds7

About tert-butyl N-[(2S)-1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]hexan-2-yl]carbamate

tert-butyl N-[(2S)-1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]hexan-2-yl]carbamate (PubChem CID 139253359) has the molecular formula C17H32N2O4 and a molecular weight of 328.45 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]hexan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]hexan-2-yl]carbamate
PubChem CID139253359
Molecular FormulaC17H32N2O4
Molecular Weight328.45 g/mol
Exact Mass328.24
IUPAC Nametert-butyl N-[(2S)-1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]hexan-2-yl]carbamate
SMILESCCCC[C@@H](CN1C(=O)OC[C@@H]1C(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C17H32N2O4/c1-7-8-9-13(18-15(20)23-17(4,5)6)10-19-14(12(2)3)11-22-16(19)21/h12-14H,7-11H2,1-6H3,(H,18,20)/t13-,14+/m0/s1
InChIKeyIDFKEUBNKGNRLP-UONOGXRCSA-N
XLogP3.55
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.45
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]hexan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]hexan-2-yl]carbamate (CID 139253359) is tert-butyl N-[(2S)-1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]hexan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]hexan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]hexan-2-yl]carbamate is CCCC[C@@H](CN1C(=O)OC[C@@H]1C(C)C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]hexan-2-yl]carbamate?
The InChIKey is IDFKEUBNKGNRLP-UONOGXRCSA-N. The full InChI is InChI=1S/C17H32N2O4/c1-7-8-9-13(18-15(20)23-17(4,5)6)10-19-14(12(2)3)11-22-16(19)21/h12-14H,7-11H2,1-6H3,(H,18,20)/t13-,14+/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]hexan-2-yl]carbamate?
tert-butyl N-[(2S)-1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]hexan-2-yl]carbamate has a molecular weight of 328.45 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]hexan-2-yl]carbamate is sourced from PubChem (CID 139253359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).