tert-butyl 2-[(1S,2S)-2-(methylcarbamoyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]acetate

C18H32N2O5 — CID 138475727

IUPACtert-butyl 2-[(1S,2S)-2-(methylcarbamoyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]acetate
SMILESCNC(=O)[C@]1(NC(=O)OC(C)(C)C)CCC[C@H]1CC(=O)OC(C)(C)C
InChIInChI=1S/C18H32N2O5/c1-16(2,3)24-13(21)11-12-9-8-10-18(12,14(22)19-7)20-15(23)25-17(4,5)6/h12H,8-11H2,1-7H3,(H,19,22)(H,20,23)/t12-,18-/m0/s1
InChIKeyWNOCDOLDGRVOFH-SGTLLEGYSA-N
MW356.46 g/mol
LogP2.53
Rot. Bonds4

About tert-butyl 2-[(1S,2S)-2-(methylcarbamoyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]acetate

tert-butyl 2-[(1S,2S)-2-(methylcarbamoyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]acetate (PubChem CID 138475727) has the molecular formula C18H32N2O5 and a molecular weight of 356.46 g/mol. Its IUPAC name is tert-butyl 2-[(1S,2S)-2-(methylcarbamoyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(1S,2S)-2-(methylcarbamoyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]acetate
PubChem CID138475727
Molecular FormulaC18H32N2O5
Molecular Weight356.46 g/mol
Exact Mass356.23
IUPAC Nametert-butyl 2-[(1S,2S)-2-(methylcarbamoyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]acetate
SMILESCNC(=O)[C@]1(NC(=O)OC(C)(C)C)CCC[C@H]1CC(=O)OC(C)(C)C
InChIInChI=1S/C18H32N2O5/c1-16(2,3)24-13(21)11-12-9-8-10-18(12,14(22)19-7)20-15(23)25-17(4,5)6/h12H,8-11H2,1-7H3,(H,19,22)(H,20,23)/t12-,18-/m0/s1
InChIKeyWNOCDOLDGRVOFH-SGTLLEGYSA-N
XLogP2.53
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl 2-[(1S,2S)-2-(methylcarbamoyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]acetate with MolForge

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Related Compounds

2,3-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid
CID 64756805
tert-butyl N-[(1R,2S)-1-acetyl-2-ethylcyclopropyl]carbamate
CID 59044921
trans-(1R,2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-methylsulfanylcyclohexane-1-carboxylic acid
CID 154707290
tert-butyl N-[(1R,2R)-1-carbamoyl-2-methylcyclohexyl]carbamate
CID 95903186
tert-butyl N-(1-carbamoyl-2-methylcyclohexyl)carbamate
CID 86778100
tert-butyl N-[1-(bromomethyl)-3-methylcyclohexyl]carbamate
CID 114314705
tert-butyl N-[1-(methylaminomethyl)cyclopropyl]carbamate
CID 10798106
[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl] formate
CID 57097698
tert-butyl N-[1-(2-methylpropyl)cyclobutyl]carbamate
CID 59743771
tert-butyl [1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methyl carbonate
CID 25220860
tert-butyl N-(1,2-dimethylcyclopentyl)carbamate
CID 118317015
[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclooctyl] formate
CID 135186594

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(1S,2S)-2-(methylcarbamoyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]acetate?
The IUPAC name of tert-butyl 2-[(1S,2S)-2-(methylcarbamoyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]acetate (CID 138475727) is tert-butyl 2-[(1S,2S)-2-(methylcarbamoyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]acetate.
What is the SMILES notation for tert-butyl 2-[(1S,2S)-2-(methylcarbamoyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]acetate?
The canonical SMILES for tert-butyl 2-[(1S,2S)-2-(methylcarbamoyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]acetate is CNC(=O)[C@]1(NC(=O)OC(C)(C)C)CCC[C@H]1CC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[(1S,2S)-2-(methylcarbamoyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]acetate?
The InChIKey is WNOCDOLDGRVOFH-SGTLLEGYSA-N. The full InChI is InChI=1S/C18H32N2O5/c1-16(2,3)24-13(21)11-12-9-8-10-18(12,14(22)19-7)20-15(23)25-17(4,5)6/h12H,8-11H2,1-7H3,(H,19,22)(H,20,23)/t12-,18-/m0/s1.
What are the key properties of tert-butyl 2-[(1S,2S)-2-(methylcarbamoyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]acetate?
tert-butyl 2-[(1S,2S)-2-(methylcarbamoyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]acetate has a molecular weight of 356.46 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(1S,2S)-2-(methylcarbamoyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]acetate is sourced from PubChem (CID 138475727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).