tert-butyl N-[3-(methoxyamino)cyclopentyl]carbamate

C11H22N2O3 — CID 82706407

IUPACtert-butyl N-[3-(methoxyamino)cyclopentyl]carbamate
SMILESCONC1CCC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H22N2O3/c1-11(2,3)16-10(14)12-8-5-6-9(7-8)13-15-4/h8-9,13H,5-7H2,1-4H3,(H,12,14)
InChIKeyWEOKTEUHANFVSR-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.58
Rot. Bonds3

About tert-butyl N-[3-(methoxyamino)cyclopentyl]carbamate

tert-butyl N-[3-(methoxyamino)cyclopentyl]carbamate (PubChem CID 82706407) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is tert-butyl N-[3-(methoxyamino)cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(methoxyamino)cyclopentyl]carbamate
PubChem CID82706407
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nametert-butyl N-[3-(methoxyamino)cyclopentyl]carbamate
SMILESCONC1CCC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H22N2O3/c1-11(2,3)16-10(14)12-8-5-6-9(7-8)13-15-4/h8-9,13H,5-7H2,1-4H3,(H,12,14)
InChIKeyWEOKTEUHANFVSR-UHFFFAOYSA-N
XLogP1.58
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 23397565
tert-butyl N-[(1S,3S)-3-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R,3R)-3-hydroxycyclopentyl]carbamate
CID 86222893
[[(1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]amino]carbamic acid
CID 150881139
tert-butyl N-[3-(cyclobutylamino)cyclopentyl]carbamate
CID 79461260
tert-butyl N-[(1S)-3-aminocyclopentyl]carbamate
CID 129185983
tert-butyl N-[3-(cycloheptylamino)cyclopentyl]carbamate
CID 79461407
tert-butyl N-[(1R,4S)-3-hydroxy-4-methylcyclohexyl]carbamate
CID 118263188
tert-butyl N-(3-aminocyclopentyl)carbamate;hydrochloride
CID 45156792
tert-butyl N-[(1R,3R)-3-hydroxy-4-methylcyclohexyl]carbamate
CID 118263190
2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]amino]acetic acid
CID 79461532
tert-butyl N-[(1R,3R,4S)-4-amino-3-(methoxymethyl)cyclohexyl]carbamate
CID 68765639

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(methoxyamino)cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[3-(methoxyamino)cyclopentyl]carbamate (CID 82706407) is tert-butyl N-[3-(methoxyamino)cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(methoxyamino)cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(methoxyamino)cyclopentyl]carbamate is CONC1CCC(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[3-(methoxyamino)cyclopentyl]carbamate?
The InChIKey is WEOKTEUHANFVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-11(2,3)16-10(14)12-8-5-6-9(7-8)13-15-4/h8-9,13H,5-7H2,1-4H3,(H,12,14).
What are the key properties of tert-butyl N-[3-(methoxyamino)cyclopentyl]carbamate?
tert-butyl N-[3-(methoxyamino)cyclopentyl]carbamate has a molecular weight of 230.31 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(methoxyamino)cyclopentyl]carbamate is sourced from PubChem (CID 82706407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).