tert-butyl N-[(1S,2S)-2-aminocyclopentyl]carbamate

C10H20N2O2 — CID 17040218

IUPACtert-butyl N-[(1S,2S)-2-aminocyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1N
InChIInChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-8-6-4-5-7(8)11/h7-8H,4-6,11H2,1-3H3,(H,12,13)/t7-,8-/m0/s1
InChIKeyPAXDIBGWURAVIH-YUMQZZPRSA-N
MW200.28 g/mol
LogP1.39
Rot. Bonds1

About tert-butyl N-[(1S,2S)-2-aminocyclopentyl]carbamate

tert-butyl N-[(1S,2S)-2-aminocyclopentyl]carbamate (PubChem CID 17040218) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is tert-butyl N-[(1S,2S)-2-aminocyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,2S)-2-aminocyclopentyl]carbamate
PubChem CID17040218
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Nametert-butyl N-[(1S,2S)-2-aminocyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1N
InChIInChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-8-6-4-5-7(8)11/h7-8H,4-6,11H2,1-3H3,(H,12,13)/t7-,8-/m0/s1
InChIKeyPAXDIBGWURAVIH-YUMQZZPRSA-N
XLogP1.39
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(1R)-2-aminocyclobutyl]carbamate
CID 174298554
tert-butyl N-[(1R,2S)-2-methylcyclopentyl]carbamate
CID 162343214
tert-butyl N-[(1R,2R,3S)-2-amino-3-hydroxycyclohexyl]carbamate
CID 70952812
tert-butyl N-[(1S,2R)-2-aminocyclopropyl]carbamate
CID 84766300
tert-butyl N-[(1S)-2-hydroxycyclopentyl]carbamate
CID 58845331
tert-butyl N-[(1S,2R)-2-hydroxycyclopentyl]carbamate
CID 51416200
tert-butyl N-[(1R,2S)-2-aminooxycyclopentyl]carbamate
CID 129395964
trans-methyl (1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 11287994
tert-butyl N-(2-ethylcyclopentyl)carbamate
CID 131075497
tert-butyl N-[(1S,2S)-2-formylcyclopentyl]carbamate
CID 96612570
2-[(1S,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]acetic acid
CID 34176591
tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;(1S)-1-hydroxy-1-phenylpropan-2-one
CID 158308736

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,2S)-2-aminocyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[(1S,2S)-2-aminocyclopentyl]carbamate (CID 17040218) is tert-butyl N-[(1S,2S)-2-aminocyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,2S)-2-aminocyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,2S)-2-aminocyclopentyl]carbamate is CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1N.
What is the InChIKey of tert-butyl N-[(1S,2S)-2-aminocyclopentyl]carbamate?
The InChIKey is PAXDIBGWURAVIH-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-8-6-4-5-7(8)11/h7-8H,4-6,11H2,1-3H3,(H,12,13)/t7-,8-/m0/s1.
What are the key properties of tert-butyl N-[(1S,2S)-2-aminocyclopentyl]carbamate?
tert-butyl N-[(1S,2S)-2-aminocyclopentyl]carbamate has a molecular weight of 200.28 g/mol, XLogP of 1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,2S)-2-aminocyclopentyl]carbamate is sourced from PubChem (CID 17040218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).