tert-butyl N-[(1S)-2-cyclohexyl-1-[(2S,4R)-4-methyl-5-oxooxolan-2-yl]ethyl]carbamate

C18H31NO4 — CID 11023821

IUPACtert-butyl N-[(1S)-2-cyclohexyl-1-[(2S,4R)-4-methyl-5-oxooxolan-2-yl]ethyl]carbamate
SMILESC[C@@H]1C[C@@H]([C@H](CC2CCCCC2)NC(=O)OC(C)(C)C)OC1=O
InChIInChI=1S/C18H31NO4/c1-12-10-15(22-16(12)20)14(11-13-8-6-5-7-9-13)19-17(21)23-18(2,3)4/h12-15H,5-11H2,1-4H3,(H,19,21)/t12-,14+,15+/m1/s1
InChIKeyAVOJMAQDELWKHE-SNPRPXQTSA-N
MW325.45 g/mol
LogP3.80
Rot. Bonds4

About tert-butyl N-[(1S)-2-cyclohexyl-1-[(2S,4R)-4-methyl-5-oxooxolan-2-yl]ethyl]carbamate

tert-butyl N-[(1S)-2-cyclohexyl-1-[(2S,4R)-4-methyl-5-oxooxolan-2-yl]ethyl]carbamate (PubChem CID 11023821) has the molecular formula C18H31NO4 and a molecular weight of 325.45 g/mol. Its IUPAC name is tert-butyl N-[(1S)-2-cyclohexyl-1-[(2S,4R)-4-methyl-5-oxooxolan-2-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-2-cyclohexyl-1-[(2S,4R)-4-methyl-5-oxooxolan-2-yl]ethyl]carbamate
PubChem CID11023821
Molecular FormulaC18H31NO4
Molecular Weight325.45 g/mol
Exact Mass325.23
IUPAC Nametert-butyl N-[(1S)-2-cyclohexyl-1-[(2S,4R)-4-methyl-5-oxooxolan-2-yl]ethyl]carbamate
SMILESC[C@@H]1C[C@@H]([C@H](CC2CCCCC2)NC(=O)OC(C)(C)C)OC1=O
InChIInChI=1S/C18H31NO4/c1-12-10-15(22-16(12)20)14(11-13-8-6-5-7-9-13)19-17(21)23-18(2,3)4/h12-15H,5-11H2,1-4H3,(H,19,21)/t12-,14+,15+/m1/s1
InChIKeyAVOJMAQDELWKHE-SNPRPXQTSA-N
XLogP3.80
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(1S)-2-cyclohexyl-1-[(2S,4R)-4-methyl-5-oxooxolan-2-yl]ethyl]carbamate with MolForge

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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
tert-butyl N-[(1S)-3-methyl-1-[(2R)-5-oxooxolan-2-yl]butyl]carbamate
CID 14076787
(2s,4s,5s)-5-(t-Butoxycarbonylamino)-4-hydroxy-2-isopropyl-7-methyloctanoic acid
CID 14083148
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
tert-butyl (2S,3R,5R)-3,5-diethyl-2-[(2R)-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate
CID 134969659
tert-butyl N-[(1S)-3-methyl-1-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]butyl]carbamate
CID 12042859
ethyl (2S)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 10590284
(5S)-5-[(1S)-1-(N-t-butoxycarbonylamino)-2-cyclohexylethyl]dihydrofuran-2(3H)-one
CID 10946873
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)-2-cyclohexyl-1-[(2S,4R)-4-methyl-5-oxooxolan-2-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-2-cyclohexyl-1-[(2S,4R)-4-methyl-5-oxooxolan-2-yl]ethyl]carbamate (CID 11023821) is tert-butyl N-[(1S)-2-cyclohexyl-1-[(2S,4R)-4-methyl-5-oxooxolan-2-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-2-cyclohexyl-1-[(2S,4R)-4-methyl-5-oxooxolan-2-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-2-cyclohexyl-1-[(2S,4R)-4-methyl-5-oxooxolan-2-yl]ethyl]carbamate is C[C@@H]1C[C@@H]([C@H](CC2CCCCC2)NC(=O)OC(C)(C)C)OC1=O.
What is the InChIKey of tert-butyl N-[(1S)-2-cyclohexyl-1-[(2S,4R)-4-methyl-5-oxooxolan-2-yl]ethyl]carbamate?
The InChIKey is AVOJMAQDELWKHE-SNPRPXQTSA-N. The full InChI is InChI=1S/C18H31NO4/c1-12-10-15(22-16(12)20)14(11-13-8-6-5-7-9-13)19-17(21)23-18(2,3)4/h12-15H,5-11H2,1-4H3,(H,19,21)/t12-,14+,15+/m1/s1.
What are the key properties of tert-butyl N-[(1S)-2-cyclohexyl-1-[(2S,4R)-4-methyl-5-oxooxolan-2-yl]ethyl]carbamate?
tert-butyl N-[(1S)-2-cyclohexyl-1-[(2S,4R)-4-methyl-5-oxooxolan-2-yl]ethyl]carbamate has a molecular weight of 325.45 g/mol, XLogP of 3.80, 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)-2-cyclohexyl-1-[(2S,4R)-4-methyl-5-oxooxolan-2-yl]ethyl]carbamate is sourced from PubChem (CID 11023821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).