tert-butyl N-[(1R,2S)-2-[2-(methylamino)ethyl]cyclopentyl]carbamate

C13H26N2O2 — CID 178190157

IUPACtert-butyl N-[(1R,2S)-2-[2-(methylamino)ethyl]cyclopentyl]carbamate
SMILESCNCC[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C13H26N2O2/c1-13(2,3)17-12(16)15-11-7-5-6-10(11)8-9-14-4/h10-11,14H,5-9H2,1-4H3,(H,15,16)/t10-,11+/m0/s1
InChIKeyYLJNLIIEBHJEQG-WDEREUQCSA-N
MW242.36 g/mol
LogP2.29
Rot. Bonds4

About tert-butyl N-[(1R,2S)-2-[2-(methylamino)ethyl]cyclopentyl]carbamate

tert-butyl N-[(1R,2S)-2-[2-(methylamino)ethyl]cyclopentyl]carbamate (PubChem CID 178190157) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is tert-butyl N-[(1R,2S)-2-[2-(methylamino)ethyl]cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,2S)-2-[2-(methylamino)ethyl]cyclopentyl]carbamate
PubChem CID178190157
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nametert-butyl N-[(1R,2S)-2-[2-(methylamino)ethyl]cyclopentyl]carbamate
SMILESCNCC[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C13H26N2O2/c1-13(2,3)17-12(16)15-11-7-5-6-10(11)8-9-14-4/h10-11,14H,5-9H2,1-4H3,(H,15,16)/t10-,11+/m0/s1
InChIKeyYLJNLIIEBHJEQG-WDEREUQCSA-N
XLogP2.29
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1S,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]propanoic acid
CID 178190162
tert-butyl N-(2-ethylcyclopentyl)carbamate
CID 131075497
2-[(1S,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]acetic acid
CID 34176591
methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]acetate
CID 68804451
tert-butyl N-[(1S,2S)-2-aminocyclopentyl]carbamate
CID 17040218
tert-butyl N-[2-(2-oxobut-3-ynyl)cyclopentyl]carbamate
CID 165471003
tert-butyl N-[2-(azidomethyl)cyclopentyl]carbamate
CID 171158733
tert-butyl N-[(1R,2S)-2-methylcyclopentyl]carbamate
CID 162343214
tert-butyl N-[2-(2-chloroacetyl)cyclopentyl]carbamate
CID 104701394
tert-butyl N-[(1S)-2-hydroxycyclopentyl]carbamate
CID 58845331
tert-butyl N-[(2S)-2-(methylamino)cyclohexyl]carbamate
CID 163904666
tert-butyl N-[(1S,2R)-2-hydroxycyclopentyl]carbamate
CID 51416200

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,2S)-2-[2-(methylamino)ethyl]cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[(1R,2S)-2-[2-(methylamino)ethyl]cyclopentyl]carbamate (CID 178190157) is tert-butyl N-[(1R,2S)-2-[2-(methylamino)ethyl]cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,2S)-2-[2-(methylamino)ethyl]cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,2S)-2-[2-(methylamino)ethyl]cyclopentyl]carbamate is CNCC[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(1R,2S)-2-[2-(methylamino)ethyl]cyclopentyl]carbamate?
The InChIKey is YLJNLIIEBHJEQG-WDEREUQCSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-13(2,3)17-12(16)15-11-7-5-6-10(11)8-9-14-4/h10-11,14H,5-9H2,1-4H3,(H,15,16)/t10-,11+/m0/s1.
What are the key properties of tert-butyl N-[(1R,2S)-2-[2-(methylamino)ethyl]cyclopentyl]carbamate?
tert-butyl N-[(1R,2S)-2-[2-(methylamino)ethyl]cyclopentyl]carbamate has a molecular weight of 242.36 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,2S)-2-[2-(methylamino)ethyl]cyclopentyl]carbamate is sourced from PubChem (CID 178190157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).