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

C14H25NO4 — CID 14076787

IUPACtert-butyl N-[(1S)-3-methyl-1-[(2R)-5-oxooxolan-2-yl]butyl]carbamate
SMILESCC(C)C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC(=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-WDEREUQCSA-N
MW271.36 g/mol
LogP2.63
Rot. Bonds4

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

tert-butyl N-[(1S)-3-methyl-1-[(2R)-5-oxooxolan-2-yl]butyl]carbamate (PubChem CID 14076787) 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-[(2R)-5-oxooxolan-2-yl]butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-3-methyl-1-[(2R)-5-oxooxolan-2-yl]butyl]carbamate
PubChem CID14076787
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Nametert-butyl N-[(1S)-3-methyl-1-[(2R)-5-oxooxolan-2-yl]butyl]carbamate
SMILESCC(C)C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC(=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-WDEREUQCSA-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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Related Compounds

tert-butyl N-[(1S)-3-methyl-1-[(2S,4R)-4-methyl-5-oxooxolan-2-yl]butyl]carbamate
CID 10989767
tert-butyl N-[(1S)-3-methyl-1-[(2S)-5-oxooxolan-2-yl]butyl]carbamate
CID 11054783
(2s,4s,5s)-5-(t-Butoxycarbonylamino)-4-hydroxy-2-isopropyl-7-methyloctanoic acid
CID 14083148
(2R,4S,5S)-2-(fluoromethyl)-4-hydroxy-7-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]octanoic acid
CID 60096839
tert-butyl N-[(1S)-1-[(2S,4R)-4-(fluoromethyl)-5-oxooxolan-2-yl]-3-methylbutyl]carbamate
CID 60097003
1-tert-Butyl 6-ethyl (2S)-2-[(tert-butoxycarbonyl)amino]-5-(3-fluoropropyl)hexanedioate
CID 86678429
6-O-tert-butyl 1-O-ethyl 2-(3-fluoropropyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexanedioate
CID 175274626
Ethyl 4,4-difluoro-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoate
CID 101468311
tert-butyl N-[(1S)-3-methyl-1-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]butyl]carbamate
CID 12042859
(5S)-5-[(1S)-1-(N-t-butoxycarbonylamino)-2-cyclohexylethyl]dihydrofuran-2(3H)-one
CID 10946873
(3R, 5S)-5-[(1S)-1-(t-Butoxycarbonyl)amino-2-cyclohexylethyl]-3-methyldihydrofuran-2(3H)-one
CID 11023821
tert-butyl N-[(1S)-3-methyl-1-[(2S,4R)-4-(2-methylprop-2-enyl)-5-oxooxolan-2-yl]butyl]carbamate
CID 11023822

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-3-methyl-1-[(2R)-5-oxooxolan-2-yl]butyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-3-methyl-1-[(2R)-5-oxooxolan-2-yl]butyl]carbamate (CID 14076787) is tert-butyl N-[(1S)-3-methyl-1-[(2R)-5-oxooxolan-2-yl]butyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-3-methyl-1-[(2R)-5-oxooxolan-2-yl]butyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-3-methyl-1-[(2R)-5-oxooxolan-2-yl]butyl]carbamate is CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC(=O)O1.
What is the InChIKey of tert-butyl N-[(1S)-3-methyl-1-[(2R)-5-oxooxolan-2-yl]butyl]carbamate?
The InChIKey is VBSGVYVHEPQKTH-WDEREUQCSA-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-[(2R)-5-oxooxolan-2-yl]butyl]carbamate?
tert-butyl N-[(1S)-3-methyl-1-[(2R)-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-[(2R)-5-oxooxolan-2-yl]butyl]carbamate is sourced from PubChem (CID 14076787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).