tert-butyl N-[(2S)-3-methyl-1-(2-oxo-1,3-oxazolidin-3-yl)butan-2-yl]carbamate

C13H24N2O4 — CID 58799894

IUPACtert-butyl N-[(2S)-3-methyl-1-(2-oxo-1,3-oxazolidin-3-yl)butan-2-yl]carbamate
SMILESCC(C)[C@@H](CN1CCOC1=O)NC(=O)OC(C)(C)C
InChIInChI=1S/C13H24N2O4/c1-9(2)10(8-15-6-7-18-12(15)17)14-11(16)19-13(3,4)5/h9-10H,6-8H2,1-5H3,(H,14,16)/t10-/m1/s1
InChIKeyWPMYGYUWZRHNGW-SNVBAGLBSA-N
MW272.34 g/mol
LogP1.99
Rot. Bonds4

About tert-butyl N-[(2S)-3-methyl-1-(2-oxo-1,3-oxazolidin-3-yl)butan-2-yl]carbamate

tert-butyl N-[(2S)-3-methyl-1-(2-oxo-1,3-oxazolidin-3-yl)butan-2-yl]carbamate (PubChem CID 58799894) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is tert-butyl N-[(2S)-3-methyl-1-(2-oxo-1,3-oxazolidin-3-yl)butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-3-methyl-1-(2-oxo-1,3-oxazolidin-3-yl)butan-2-yl]carbamate
PubChem CID58799894
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Nametert-butyl N-[(2S)-3-methyl-1-(2-oxo-1,3-oxazolidin-3-yl)butan-2-yl]carbamate
SMILESCC(C)[C@@H](CN1CCOC1=O)NC(=O)OC(C)(C)C
InChIInChI=1S/C13H24N2O4/c1-9(2)10(8-15-6-7-18-12(15)17)14-11(16)19-13(3,4)5/h9-10H,6-8H2,1-5H3,(H,14,16)/t10-/m1/s1
InChIKeyWPMYGYUWZRHNGW-SNVBAGLBSA-N
XLogP1.99
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-(2-oxo-1,3-oxazolidin-3-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]carbamate
CID 59536894
tert-butyl N-[(2S)-3-methyl-1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]selanylbutan-2-yl]carbamate
CID 102155878
tert-butyl N-[(2S)-1-iodo-3-methylbutan-2-yl]carbamate
CID 11141505
tert-butyl N-[(2R)-3-methyl-1-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]diselanyl]butan-2-yl]carbamate
CID 139264879
tert-butyl N-[(2R)-3-methyl-1-sulfanylbutan-2-yl]carbamate
CID 87477260
(2S)-1-[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]pyrrolidine-2-carboxylic acid
CID 67784433
tert-butyl N-(1-cyano-3-methylbutan-2-yl)carbamate
CID 85303813
tert-butyl N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamate
CID 63789574
tert-butyl N-[(1S,2S)-1-hydroxy-4-methyl-1-[(3R)-2-oxooxolan-3-yl]pentan-2-yl]carbamate
CID 11162414
tert-butyl (3R)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 11594439
tert-butyl N-[3-methyl-1-oxo-1-[4-(2-oxo-1,3-oxazolidin-3-yl)anilino]butan-2-yl]carbamate
CID 110613795
tert-butyl N-[(2S)-1-morpholin-4-ylpropan-2-yl]carbamate
CID 58441909

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-3-methyl-1-(2-oxo-1,3-oxazolidin-3-yl)butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-3-methyl-1-(2-oxo-1,3-oxazolidin-3-yl)butan-2-yl]carbamate (CID 58799894) is tert-butyl N-[(2S)-3-methyl-1-(2-oxo-1,3-oxazolidin-3-yl)butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-3-methyl-1-(2-oxo-1,3-oxazolidin-3-yl)butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-3-methyl-1-(2-oxo-1,3-oxazolidin-3-yl)butan-2-yl]carbamate is CC(C)[C@@H](CN1CCOC1=O)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-3-methyl-1-(2-oxo-1,3-oxazolidin-3-yl)butan-2-yl]carbamate?
The InChIKey is WPMYGYUWZRHNGW-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-9(2)10(8-15-6-7-18-12(15)17)14-11(16)19-13(3,4)5/h9-10H,6-8H2,1-5H3,(H,14,16)/t10-/m1/s1.
What are the key properties of tert-butyl N-[(2S)-3-methyl-1-(2-oxo-1,3-oxazolidin-3-yl)butan-2-yl]carbamate?
tert-butyl N-[(2S)-3-methyl-1-(2-oxo-1,3-oxazolidin-3-yl)butan-2-yl]carbamate has a molecular weight of 272.34 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-3-methyl-1-(2-oxo-1,3-oxazolidin-3-yl)butan-2-yl]carbamate is sourced from PubChem (CID 58799894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).