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

C20H35NO5 — CID 14483172

IUPACtert-butyl N-[(1S)-2-cyclohexyl-1-[(2S,4R)-4-(2-hydroxypropan-2-yl)-5-oxooxolan-2-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)[C@@H]1C[C@H](C(C)(C)O)C(=O)O1
InChIInChI=1S/C20H35NO5/c1-19(2,3)26-18(23)21-15(11-13-9-7-6-8-10-13)16-12-14(17(22)25-16)20(4,5)24/h13-16,24H,6-12H2,1-5H3,(H,21,23)/t14-,15-,16-/m0/s1
InChIKeyONTNQSPOVPJIPN-JYJNAYRXSA-N
MW369.50 g/mol
LogP3.55
Rot. Bonds5

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

tert-butyl N-[(1S)-2-cyclohexyl-1-[(2S,4R)-4-(2-hydroxypropan-2-yl)-5-oxooxolan-2-yl]ethyl]carbamate (PubChem CID 14483172) has the molecular formula C20H35NO5 and a molecular weight of 369.50 g/mol. Its IUPAC name is tert-butyl N-[(1S)-2-cyclohexyl-1-[(2S,4R)-4-(2-hydroxypropan-2-yl)-5-oxooxolan-2-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-2-cyclohexyl-1-[(2S,4R)-4-(2-hydroxypropan-2-yl)-5-oxooxolan-2-yl]ethyl]carbamate
PubChem CID14483172
Molecular FormulaC20H35NO5
Molecular Weight369.50 g/mol
Exact Mass369.25
IUPAC Nametert-butyl N-[(1S)-2-cyclohexyl-1-[(2S,4R)-4-(2-hydroxypropan-2-yl)-5-oxooxolan-2-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)[C@@H]1C[C@H](C(C)(C)O)C(=O)O1
InChIInChI=1S/C20H35NO5/c1-19(2,3)26-18(23)21-15(11-13-9-7-6-8-10-13)16-12-14(17(22)25-16)20(4,5)24/h13-16,24H,6-12H2,1-5H3,(H,21,23)/t14-,15-,16-/m0/s1
InChIKeyONTNQSPOVPJIPN-JYJNAYRXSA-N
XLogP3.55
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.50
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

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)-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
Ethyl 5-cyclohexyl-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 13911717
ethyl (3S,4S)-5-cyclohexyl-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 13911718
tert-butyl N-[2-cyclohexyl-1-(5-oxooxolan-2-yl)ethyl]carbamate
CID 14076769
tert-butyl N-[2-cyclohexyl-1-[4-(2-methylpropyl)-5-oxooxolan-2-yl]ethyl]carbamate
CID 14076773
tert-butyl N-[(1S)-2-cyclohexyl-1-[(2S,4R)-4-(2-methylpropyl)-5-oxooxolan-2-yl]ethyl]carbamate
CID 14076774

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-2-cyclohexyl-1-[(2S,4R)-4-(2-hydroxypropan-2-yl)-5-oxooxolan-2-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-2-cyclohexyl-1-[(2S,4R)-4-(2-hydroxypropan-2-yl)-5-oxooxolan-2-yl]ethyl]carbamate (CID 14483172) is tert-butyl N-[(1S)-2-cyclohexyl-1-[(2S,4R)-4-(2-hydroxypropan-2-yl)-5-oxooxolan-2-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-2-cyclohexyl-1-[(2S,4R)-4-(2-hydroxypropan-2-yl)-5-oxooxolan-2-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-2-cyclohexyl-1-[(2S,4R)-4-(2-hydroxypropan-2-yl)-5-oxooxolan-2-yl]ethyl]carbamate is CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)[C@@H]1C[C@H](C(C)(C)O)C(=O)O1.
What is the InChIKey of tert-butyl N-[(1S)-2-cyclohexyl-1-[(2S,4R)-4-(2-hydroxypropan-2-yl)-5-oxooxolan-2-yl]ethyl]carbamate?
The InChIKey is ONTNQSPOVPJIPN-JYJNAYRXSA-N. The full InChI is InChI=1S/C20H35NO5/c1-19(2,3)26-18(23)21-15(11-13-9-7-6-8-10-13)16-12-14(17(22)25-16)20(4,5)24/h13-16,24H,6-12H2,1-5H3,(H,21,23)/t14-,15-,16-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-2-cyclohexyl-1-[(2S,4R)-4-(2-hydroxypropan-2-yl)-5-oxooxolan-2-yl]ethyl]carbamate?
tert-butyl N-[(1S)-2-cyclohexyl-1-[(2S,4R)-4-(2-hydroxypropan-2-yl)-5-oxooxolan-2-yl]ethyl]carbamate has a molecular weight of 369.50 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-2-cyclohexyl-1-[(2S,4R)-4-(2-hydroxypropan-2-yl)-5-oxooxolan-2-yl]ethyl]carbamate is sourced from PubChem (CID 14483172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).