[(1-methoxycarbonylcyclopropyl)amino]-methyl-oxoazanium

C6H11N2O3+ — CID 123396741

IUPAC[(1-methoxycarbonylcyclopropyl)amino]-methyl-oxoazanium
SMILESCOC(=O)C1(N[N+](C)=O)CC1
InChIInChI=1S/C6H11N2O3/c1-8(10)7-6(3-4-6)5(9)11-2/h3-4H2,1-2H3,(H,7,10)/q+1
InChIKeyIYCUOFOTGIHWSH-UHFFFAOYSA-N
MW159.16 g/mol
LogP-0.39
Rot. Bonds3

About [(1-methoxycarbonylcyclopropyl)amino]-methyl-oxoazanium

[(1-methoxycarbonylcyclopropyl)amino]-methyl-oxoazanium (PubChem CID 123396741) has the molecular formula C6H11N2O3+ and a molecular weight of 159.16 g/mol. Its IUPAC name is [(1-methoxycarbonylcyclopropyl)amino]-methyl-oxoazanium.

Molecular Properties

Compound Name[(1-methoxycarbonylcyclopropyl)amino]-methyl-oxoazanium
PubChem CID123396741
Molecular FormulaC6H11N2O3+
Molecular Weight159.16 g/mol
Exact Mass159.08
IUPAC Name[(1-methoxycarbonylcyclopropyl)amino]-methyl-oxoazanium
SMILESCOC(=O)C1(N[N+](C)=O)CC1
InChIInChI=1S/C6H11N2O3/c1-8(10)7-6(3-4-6)5(9)11-2/h3-4H2,1-2H3,(H,7,10)/q+1
InChIKeyIYCUOFOTGIHWSH-UHFFFAOYSA-N
XLogP-0.39
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.16
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

methyl 1-[[tert-butyl(dimethyl)silyl]amino]cyclopropane-1-carboxylate
CID 91699355
methyl 4,4-difluoro-1-[(3-methoxy-3-oxopropanoyl)amino]cyclohexane-1-carboxylate
CID 171479073
methyl 1-(propan-2-ylamino)cyclobutane-1-carboxylate
CID 62389126
dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate;ethane
CID 144500244
methyl 1-hydroxycyclopropane-1-carboxylate
CID 2733178
dimethyl 1,4-diformylcyclohexane-1,4-dicarboxylate
CID 15656318
methyl 1-[(2-methylpropan-2-yl)oxymethylamino]cyclopropane-1-carboxylate
CID 123260165
methyl 1-(cyclopropylamino)cyclopentane-1-carboxylate
CID 60796416
methyl 1-(ethylamino)cyclododecane-1-carboxylate
CID 60788037
methyl 1-(4-iodoanilino)cyclopropane-1-carboxylate
CID 90299079
dimethyl 4,4-diacetylcyclohexane-1,1-dicarboxylate
CID 71078652
methyl 1-(2,2-dimethylpropanoylamino)cyclobutane-1-carboxylate
CID 165166779

Frequently Asked Questions

What is the IUPAC name of [(1-methoxycarbonylcyclopropyl)amino]-methyl-oxoazanium?
The IUPAC name of [(1-methoxycarbonylcyclopropyl)amino]-methyl-oxoazanium (CID 123396741) is [(1-methoxycarbonylcyclopropyl)amino]-methyl-oxoazanium.
What is the SMILES notation for [(1-methoxycarbonylcyclopropyl)amino]-methyl-oxoazanium?
The canonical SMILES for [(1-methoxycarbonylcyclopropyl)amino]-methyl-oxoazanium is COC(=O)C1(N[N+](C)=O)CC1.
What is the InChIKey of [(1-methoxycarbonylcyclopropyl)amino]-methyl-oxoazanium?
The InChIKey is IYCUOFOTGIHWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N2O3/c1-8(10)7-6(3-4-6)5(9)11-2/h3-4H2,1-2H3,(H,7,10)/q+1.
What are the key properties of [(1-methoxycarbonylcyclopropyl)amino]-methyl-oxoazanium?
[(1-methoxycarbonylcyclopropyl)amino]-methyl-oxoazanium has a molecular weight of 159.16 g/mol, XLogP of -0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1-methoxycarbonylcyclopropyl)amino]-methyl-oxoazanium is sourced from PubChem (CID 123396741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).