tert-butyl N-[(3S)-3-aminocyclopentyl]-N-methylcarbamate

C11H22N2O2 — CID 146670008

IUPACtert-butyl N-[(3S)-3-aminocyclopentyl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C1CC[C@H](N)C1
InChIInChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13(4)9-6-5-8(12)7-9/h8-9H,5-7,12H2,1-4H3/t8-,9?/m0/s1
InChIKeyKAUUUTDOHYYFTF-IENPIDJESA-N
MW214.31 g/mol
LogP1.73
Rot. Bonds1

About tert-butyl N-[(3S)-3-aminocyclopentyl]-N-methylcarbamate

tert-butyl N-[(3S)-3-aminocyclopentyl]-N-methylcarbamate (PubChem CID 146670008) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is tert-butyl N-[(3S)-3-aminocyclopentyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S)-3-aminocyclopentyl]-N-methylcarbamate
PubChem CID146670008
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Nametert-butyl N-[(3S)-3-aminocyclopentyl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C1CC[C@H](N)C1
InChIInChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13(4)9-6-5-8(12)7-9/h8-9H,5-7,12H2,1-4H3/t8-,9?/m0/s1
InChIKeyKAUUUTDOHYYFTF-IENPIDJESA-N
XLogP1.73
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[4-[(4-aminocyclohexyl)amino]cyclohexyl]-N-methylcarbamate
CID 107255751
tert-butyl N-methyl-N-[(1S,6R)-7-oxabicyclo[4.1.0]heptan-3-yl]carbamate
CID 87119309
tert-butyl N-(4-carbamoylcyclohexyl)-N-methylcarbamate
CID 91554229
tert-butyl N-(3-cyanocyclopentyl)-N-methylcarbamate
CID 54105856
tert-butyl N-methyl-N-[4-(methylamino)cyclohexyl]carbamate;hydrochloride
CID 18397394
3-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]propanoic acid
CID 22567910
tert-butyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate
CID 175940322
tert-butyl N-[4-[[(3S)-3-aminocyclopentyl]-methylamino]-3-fluorobutyl]-N-methylcarbamate
CID 168947799
methyl 4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexane-1-carboxylate
CID 23062642
tert-butyl N-cyclopent-3-en-1-yl-N-methylcarbamate
CID 172587185
tert-butyl N-(3-aminocyclobutyl)carbamate;tert-butyl N-(3-aminocyclobutyl)-N-methylcarbamate;tert-butyl N-[(1R,3S)-3-aminocyclohexyl]carbamate;tert-butyl N-(4-aminocyclohexyl)carbamate;cis-(1R,3S)-3-methylcyclohexan-1-amine;cis-(1S,3R)-3-methylcyclopentan-1-amine;cis-(1R,3S)-3-methylcyclopentan-1-amine;4-N,4-N-dimethylcyclohexane-1,4-diamine
CID 158237625
tert-butyl N-methyl-N-[3-(2-methylpropyl)cyclobutyl]carbamate
CID 118422917

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S)-3-aminocyclopentyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[(3S)-3-aminocyclopentyl]-N-methylcarbamate (CID 146670008) is tert-butyl N-[(3S)-3-aminocyclopentyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[(3S)-3-aminocyclopentyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[(3S)-3-aminocyclopentyl]-N-methylcarbamate is CN(C(=O)OC(C)(C)C)C1CC[C@H](N)C1.
What is the InChIKey of tert-butyl N-[(3S)-3-aminocyclopentyl]-N-methylcarbamate?
The InChIKey is KAUUUTDOHYYFTF-IENPIDJESA-N. The full InChI is InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13(4)9-6-5-8(12)7-9/h8-9H,5-7,12H2,1-4H3/t8-,9?/m0/s1.
What are the key properties of tert-butyl N-[(3S)-3-aminocyclopentyl]-N-methylcarbamate?
tert-butyl N-[(3S)-3-aminocyclopentyl]-N-methylcarbamate has a molecular weight of 214.31 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S)-3-aminocyclopentyl]-N-methylcarbamate is sourced from PubChem (CID 146670008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).