tert-butyl N-cyclopropyl-N-[(2R)-2-[(4S,5S)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]butyl]carbamate

C16H28N2O4 — CID 174022989

IUPACtert-butyl N-cyclopropyl-N-[(2R)-2-[(4S,5S)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]butyl]carbamate
SMILESCC[C@H](CN(C(=O)OC(C)(C)C)C1CC1)[C@@H]1NC(=O)O[C@H]1C
InChIInChI=1S/C16H28N2O4/c1-6-11(13-10(2)21-14(19)17-13)9-18(12-7-8-12)15(20)22-16(3,4)5/h10-13H,6-9H2,1-5H3,(H,17,19)/t10-,11+,13+/m0/s1
InChIKeyCYCLDIZIIQKIBG-DMDPSCGWSA-N
MW312.41 g/mol
LogP2.91
Rot. Bonds5

About tert-butyl N-cyclopropyl-N-[(2R)-2-[(4S,5S)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]butyl]carbamate

tert-butyl N-cyclopropyl-N-[(2R)-2-[(4S,5S)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]butyl]carbamate (PubChem CID 174022989) has the molecular formula C16H28N2O4 and a molecular weight of 312.41 g/mol. Its IUPAC name is tert-butyl N-cyclopropyl-N-[(2R)-2-[(4S,5S)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-cyclopropyl-N-[(2R)-2-[(4S,5S)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]butyl]carbamate
PubChem CID174022989
Molecular FormulaC16H28N2O4
Molecular Weight312.41 g/mol
Exact Mass312.20
IUPAC Nametert-butyl N-cyclopropyl-N-[(2R)-2-[(4S,5S)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]butyl]carbamate
SMILESCC[C@H](CN(C(=O)OC(C)(C)C)C1CC1)[C@@H]1NC(=O)O[C@H]1C
InChIInChI=1S/C16H28N2O4/c1-6-11(13-10(2)21-14(19)17-13)9-18(12-7-8-12)15(20)22-16(3,4)5/h10-13H,6-9H2,1-5H3,(H,17,19)/t10-,11+,13+/m0/s1
InChIKeyCYCLDIZIIQKIBG-DMDPSCGWSA-N
XLogP2.91
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-cyclopropyl-N-[(2R)-2-[(4S,5S)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]butyl]carbamate?
The IUPAC name of tert-butyl N-cyclopropyl-N-[(2R)-2-[(4S,5S)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]butyl]carbamate (CID 174022989) is tert-butyl N-cyclopropyl-N-[(2R)-2-[(4S,5S)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]butyl]carbamate.
What is the SMILES notation for tert-butyl N-cyclopropyl-N-[(2R)-2-[(4S,5S)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]butyl]carbamate?
The canonical SMILES for tert-butyl N-cyclopropyl-N-[(2R)-2-[(4S,5S)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]butyl]carbamate is CC[C@H](CN(C(=O)OC(C)(C)C)C1CC1)[C@@H]1NC(=O)O[C@H]1C.
What is the InChIKey of tert-butyl N-cyclopropyl-N-[(2R)-2-[(4S,5S)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]butyl]carbamate?
The InChIKey is CYCLDIZIIQKIBG-DMDPSCGWSA-N. The full InChI is InChI=1S/C16H28N2O4/c1-6-11(13-10(2)21-14(19)17-13)9-18(12-7-8-12)15(20)22-16(3,4)5/h10-13H,6-9H2,1-5H3,(H,17,19)/t10-,11+,13+/m0/s1.
What are the key properties of tert-butyl N-cyclopropyl-N-[(2R)-2-[(4S,5S)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]butyl]carbamate?
tert-butyl N-cyclopropyl-N-[(2R)-2-[(4S,5S)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]butyl]carbamate has a molecular weight of 312.41 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-cyclopropyl-N-[(2R)-2-[(4S,5S)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]butyl]carbamate is sourced from PubChem (CID 174022989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).