[1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropanecarbonyl]oxidanium

C15H20NO4+ — CID 145300620

IUPAC[1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropanecarbonyl]oxidanium
SMILESCC(C)(C)OC(=O)NC1(C(=O)[OH2+])CC1c1ccccc1
InChIInChI=1S/C15H19NO4/c1-14(2,3)20-13(19)16-15(12(17)18)9-11(15)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,16,19)(H,17,18)/p+1
InChIKeyVMOVYASDUSWBOL-UHFFFAOYSA-O
MW278.33 g/mol
LogP1.69
Rot. Bonds3

About [1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropanecarbonyl]oxidanium

[1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropanecarbonyl]oxidanium (PubChem CID 145300620) has the molecular formula C15H20NO4+ and a molecular weight of 278.33 g/mol. Its IUPAC name is [1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropanecarbonyl]oxidanium.

Molecular Properties

Compound Name[1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropanecarbonyl]oxidanium
PubChem CID145300620
Molecular FormulaC15H20NO4+
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name[1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropanecarbonyl]oxidanium
SMILESCC(C)(C)OC(=O)NC1(C(=O)[OH2+])CC1c1ccccc1
InChIInChI=1S/C15H19NO4/c1-14(2,3)20-13(19)16-15(12(17)18)9-11(15)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,16,19)(H,17,18)/p+1
InChIKeyVMOVYASDUSWBOL-UHFFFAOYSA-O
XLogP1.69
TPSA78.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Related Compounds

trans-(1S,2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropane-1-carboxylic acid
CID 7009512
cis-(1S,2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropane-1-carboxylic acid
CID 7009514
trans-methyl (1S,2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropane-1-carboxylate
CID 10946226
cis-(1R,2R)-2-(4-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid
CID 99989979
2-(3-methylphenyl)-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid
CID 165446704
2-(4-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid
CID 165446641
tert-butyl N-[(1R,2R)-1-ethyl-2-phenylcyclopropyl]carbamate
CID 118483818
cis-(1S,2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclohexane-1-carboxylic acid
CID 101367353
methyl (2S)-1-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropanecarbonyl]pyrrolidine-2-carboxylate
CID 163414036
cis-methyl (1S,2S)-2-(4-bromophenyl)-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate
CID 93047912
tert-butyl N-[(1R,2S)-1-(4-acetamidophenyl)-2-phenylcyclopropyl]carbamate
CID 118483901
2-(3,5-difluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid
CID 163698686

Frequently Asked Questions

What is the IUPAC name of [1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropanecarbonyl]oxidanium?
The IUPAC name of [1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropanecarbonyl]oxidanium (CID 145300620) is [1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropanecarbonyl]oxidanium.
What is the SMILES notation for [1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropanecarbonyl]oxidanium?
The canonical SMILES for [1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropanecarbonyl]oxidanium is CC(C)(C)OC(=O)NC1(C(=O)[OH2+])CC1c1ccccc1.
What is the InChIKey of [1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropanecarbonyl]oxidanium?
The InChIKey is VMOVYASDUSWBOL-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H19NO4/c1-14(2,3)20-13(19)16-15(12(17)18)9-11(15)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,16,19)(H,17,18)/p+1.
What are the key properties of [1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropanecarbonyl]oxidanium?
[1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropanecarbonyl]oxidanium has a molecular weight of 278.33 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropanecarbonyl]oxidanium is sourced from PubChem (CID 145300620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).