tert-butyl N-(3-aminocyclopentyl)carbamate;hydrochloride

C10H21ClN2O2 — CID 45156792

IUPACtert-butyl N-(3-aminocyclopentyl)carbamate;hydrochloride
SMILESCC(C)(C)OC(=O)NC1CCC(N)C1.Cl
InChIInChI=1S/C10H20N2O2.ClH/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);1H
InChIKeyRYHBULZGXHADRD-UHFFFAOYSA-N
MW236.74 g/mol
LogP1.81
Rot. Bonds1

About tert-butyl N-(3-aminocyclopentyl)carbamate;hydrochloride

tert-butyl N-(3-aminocyclopentyl)carbamate;hydrochloride (PubChem CID 45156792) has the molecular formula C10H21ClN2O2 and a molecular weight of 236.74 g/mol. Its IUPAC name is tert-butyl N-(3-aminocyclopentyl)carbamate;hydrochloride.

Molecular Properties

Compound Nametert-butyl N-(3-aminocyclopentyl)carbamate;hydrochloride
PubChem CID45156792
Molecular FormulaC10H21ClN2O2
Molecular Weight236.74 g/mol
Exact Mass236.13
IUPAC Nametert-butyl N-(3-aminocyclopentyl)carbamate;hydrochloride
SMILESCC(C)(C)OC(=O)NC1CCC(N)C1.Cl
InChIInChI=1S/C10H20N2O2.ClH/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);1H
InChIKeyRYHBULZGXHADRD-UHFFFAOYSA-N
XLogP1.81
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.74
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(1S)-3-aminocyclopentyl]carbamate
CID 129185983
tert-butyl N-(4-aminocyclohexyl)carbamate;dihydrochloride
CID 140801985
tert-butyl N-[(1R)-3-aminocyclohexyl]carbamate
CID 148734897
(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
(4-aminocyclohexyl)methanol;tert-butyl N-[4-(hydroxymethyl)cyclohexyl]carbamate;hydrochloride
CID 159376194
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-[3-(aminomethyl)cyclobutyl]carbamate;hydrochloride
CID 126812095
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-aminocyclopentyl)carbamate;hydrochloride?
The IUPAC name of tert-butyl N-(3-aminocyclopentyl)carbamate;hydrochloride (CID 45156792) is tert-butyl N-(3-aminocyclopentyl)carbamate;hydrochloride.
What is the SMILES notation for tert-butyl N-(3-aminocyclopentyl)carbamate;hydrochloride?
The canonical SMILES for tert-butyl N-(3-aminocyclopentyl)carbamate;hydrochloride is CC(C)(C)OC(=O)NC1CCC(N)C1.Cl.
What is the InChIKey of tert-butyl N-(3-aminocyclopentyl)carbamate;hydrochloride?
The InChIKey is RYHBULZGXHADRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2.ClH/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);1H.
What are the key properties of tert-butyl N-(3-aminocyclopentyl)carbamate;hydrochloride?
tert-butyl N-(3-aminocyclopentyl)carbamate;hydrochloride has a molecular weight of 236.74 g/mol, XLogP of 1.81, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-aminocyclopentyl)carbamate;hydrochloride is sourced from PubChem (CID 45156792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).