tert-butyl N-[(1S)-3-methyl-1-(5-oxooxolan-2-yl)butyl]carbamate

C14H25NO4 — CID 18656645

IUPACtert-butyl N-[(1S)-3-methyl-1-(5-oxooxolan-2-yl)butyl]carbamate
SMILESCC(C)C[C@H](NC(=O)OC(C)(C)C)C1CCC(=O)O1
InChIInChI=1S/C14H25NO4/c1-9(2)8-10(11-6-7-12(16)18-11)15-13(17)19-14(3,4)5/h9-11H,6-8H2,1-5H3,(H,15,17)/t10-,11?/m0/s1
InChIKeyVBSGVYVHEPQKTH-VUWPPUDQSA-N
MW271.36 g/mol
LogP2.63
Rot. Bonds4

About tert-butyl N-[(1S)-3-methyl-1-(5-oxooxolan-2-yl)butyl]carbamate

tert-butyl N-[(1S)-3-methyl-1-(5-oxooxolan-2-yl)butyl]carbamate (PubChem CID 18656645) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is tert-butyl N-[(1S)-3-methyl-1-(5-oxooxolan-2-yl)butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-3-methyl-1-(5-oxooxolan-2-yl)butyl]carbamate
PubChem CID18656645
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Nametert-butyl N-[(1S)-3-methyl-1-(5-oxooxolan-2-yl)butyl]carbamate
SMILESCC(C)C[C@H](NC(=O)OC(C)(C)C)C1CCC(=O)O1
InChIInChI=1S/C14H25NO4/c1-9(2)8-10(11-6-7-12(16)18-11)15-13(17)19-14(3,4)5/h9-11H,6-8H2,1-5H3,(H,15,17)/t10-,11?/m0/s1
InChIKeyVBSGVYVHEPQKTH-VUWPPUDQSA-N
XLogP2.63
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-3-methyl-1-(5-oxooxolan-2-yl)butyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-3-methyl-1-(5-oxooxolan-2-yl)butyl]carbamate (CID 18656645) is tert-butyl N-[(1S)-3-methyl-1-(5-oxooxolan-2-yl)butyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-3-methyl-1-(5-oxooxolan-2-yl)butyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-3-methyl-1-(5-oxooxolan-2-yl)butyl]carbamate is CC(C)C[C@H](NC(=O)OC(C)(C)C)C1CCC(=O)O1.
What is the InChIKey of tert-butyl N-[(1S)-3-methyl-1-(5-oxooxolan-2-yl)butyl]carbamate?
The InChIKey is VBSGVYVHEPQKTH-VUWPPUDQSA-N. The full InChI is InChI=1S/C14H25NO4/c1-9(2)8-10(11-6-7-12(16)18-11)15-13(17)19-14(3,4)5/h9-11H,6-8H2,1-5H3,(H,15,17)/t10-,11?/m0/s1.
What are the key properties of tert-butyl N-[(1S)-3-methyl-1-(5-oxooxolan-2-yl)butyl]carbamate?
tert-butyl N-[(1S)-3-methyl-1-(5-oxooxolan-2-yl)butyl]carbamate has a molecular weight of 271.36 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-3-methyl-1-(5-oxooxolan-2-yl)butyl]carbamate is sourced from PubChem (CID 18656645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).