tert-butyl N-[(1S)-3-aminocyclopentyl]carbamate

C10H20N2O2 — CID 129185983

IUPACtert-butyl N-[(1S)-3-aminocyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CCC(N)C1
InChIInChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-8-5-4-7(11)6-8/h7-8H,4-6,11H2,1-3H3,(H,12,13)/t7?,8-/m0/s1
InChIKeyPGBVMVTUWHCOHX-MQWKRIRWSA-N
MW200.28 g/mol
LogP1.39
Rot. Bonds1

About tert-butyl N-[(1S)-3-aminocyclopentyl]carbamate

tert-butyl N-[(1S)-3-aminocyclopentyl]carbamate (PubChem CID 129185983) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is tert-butyl N-[(1S)-3-aminocyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-3-aminocyclopentyl]carbamate
PubChem CID129185983
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Nametert-butyl N-[(1S)-3-aminocyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CCC(N)C1
InChIInChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-8-5-4-7(11)6-8/h7-8H,4-6,11H2,1-3H3,(H,12,13)/t7?,8-/m0/s1
InChIKeyPGBVMVTUWHCOHX-MQWKRIRWSA-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-(3-aminocyclopentyl)carbamate;hydrochloride
CID 45156792
tert-butyl N-[(1R)-3-aminocyclohexyl]carbamate
CID 148734897
tert-butyl N-(4-aminocyclohexyl)carbamate;dihydrochloride
CID 140801985
(1R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid;trans-(1R,3R)-3-aminocyclopentane-1-carboxylic acid;hydrochloride
CID 158831950
tert-butyl N-(4-aminocyclooctyl)carbamate
CID 147656644
2,4,4-trimethylpentan-2-yl N-[(1S,3R)-3-aminocyclopentyl]carbamate
CID 168822851
[(1R,3R)-3-aminocyclopentyl] methanesulfonate;[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl] methanesulfonate
CID 160547885
2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]ethyl acetate
CID 175325980
tert-butyl N-[(1S,3S)-3-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R,3R)-3-hydroxycyclopentyl]carbamate
CID 86222893
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[(1S,2S,4S)-4-amino-2-methylcyclohexyl]carbamate
CID 86650624
tert-butyl N-[(1S)-3-carbamothioylcyclopentyl]carbamate
CID 59028671

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-3-aminocyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-3-aminocyclopentyl]carbamate (CID 129185983) is tert-butyl N-[(1S)-3-aminocyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-3-aminocyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-3-aminocyclopentyl]carbamate is CC(C)(C)OC(=O)N[C@H]1CCC(N)C1.
What is the InChIKey of tert-butyl N-[(1S)-3-aminocyclopentyl]carbamate?
The InChIKey is PGBVMVTUWHCOHX-MQWKRIRWSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-8-5-4-7(11)6-8/h7-8H,4-6,11H2,1-3H3,(H,12,13)/t7?,8-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-3-aminocyclopentyl]carbamate?
tert-butyl N-[(1S)-3-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)-3-aminocyclopentyl]carbamate is sourced from PubChem (CID 129185983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).