tert-butyl N-(1-formylcyclopropyl)carbamate;methyl 1-(methylamino)cyclopropane-1-carboxylate

C15H26N2O5 — CID 178168035

IUPACtert-butyl N-(1-formylcyclopropyl)carbamate;methyl 1-(methylamino)cyclopropane-1-carboxylate
SMILESCC(C)(C)OC(=O)NC1(C=O)CC1.CNC1(C(=O)OC)CC1
InChIInChI=1S/C9H15NO3.C6H11NO2/c1-8(2,3)13-7(12)10-9(6-11)4-5-9;1-7-6(3-4-6)5(8)9-2/h6H,4-5H2,1-3H3,(H,10,12);7H,3-4H2,1-2H3
InChIKeyRPQIEHDTVRULIU-UHFFFAOYSA-N
MW314.38 g/mol
LogP1.15
Rot. Bonds4

About tert-butyl N-(1-formylcyclopropyl)carbamate;methyl 1-(methylamino)cyclopropane-1-carboxylate

tert-butyl N-(1-formylcyclopropyl)carbamate;methyl 1-(methylamino)cyclopropane-1-carboxylate (PubChem CID 178168035) has the molecular formula C15H26N2O5 and a molecular weight of 314.38 g/mol. Its IUPAC name is tert-butyl N-(1-formylcyclopropyl)carbamate;methyl 1-(methylamino)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl N-(1-formylcyclopropyl)carbamate;methyl 1-(methylamino)cyclopropane-1-carboxylate
PubChem CID178168035
Molecular FormulaC15H26N2O5
Molecular Weight314.38 g/mol
Exact Mass314.18
IUPAC Nametert-butyl N-(1-formylcyclopropyl)carbamate;methyl 1-(methylamino)cyclopropane-1-carboxylate
SMILESCC(C)(C)OC(=O)NC1(C=O)CC1.CNC1(C(=O)OC)CC1
InChIInChI=1S/C9H15NO3.C6H11NO2/c1-8(2,3)13-7(12)10-9(6-11)4-5-9;1-7-6(3-4-6)5(8)9-2/h6H,4-5H2,1-3H3,(H,10,12);7H,3-4H2,1-2H3
InChIKeyRPQIEHDTVRULIU-UHFFFAOYSA-N
XLogP1.15
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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3-formyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]azepane-1-carboxylic acid
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methyl (1R,5R)-6,6-difluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[3.1.0]hexane-3-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-formylcyclopropyl)carbamate;methyl 1-(methylamino)cyclopropane-1-carboxylate?
The IUPAC name of tert-butyl N-(1-formylcyclopropyl)carbamate;methyl 1-(methylamino)cyclopropane-1-carboxylate (CID 178168035) is tert-butyl N-(1-formylcyclopropyl)carbamate;methyl 1-(methylamino)cyclopropane-1-carboxylate.
What is the SMILES notation for tert-butyl N-(1-formylcyclopropyl)carbamate;methyl 1-(methylamino)cyclopropane-1-carboxylate?
The canonical SMILES for tert-butyl N-(1-formylcyclopropyl)carbamate;methyl 1-(methylamino)cyclopropane-1-carboxylate is CC(C)(C)OC(=O)NC1(C=O)CC1.CNC1(C(=O)OC)CC1.
What is the InChIKey of tert-butyl N-(1-formylcyclopropyl)carbamate;methyl 1-(methylamino)cyclopropane-1-carboxylate?
The InChIKey is RPQIEHDTVRULIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3.C6H11NO2/c1-8(2,3)13-7(12)10-9(6-11)4-5-9;1-7-6(3-4-6)5(8)9-2/h6H,4-5H2,1-3H3,(H,10,12);7H,3-4H2,1-2H3.
What are the key properties of tert-butyl N-(1-formylcyclopropyl)carbamate;methyl 1-(methylamino)cyclopropane-1-carboxylate?
tert-butyl N-(1-formylcyclopropyl)carbamate;methyl 1-(methylamino)cyclopropane-1-carboxylate has a molecular weight of 314.38 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-formylcyclopropyl)carbamate;methyl 1-(methylamino)cyclopropane-1-carboxylate is sourced from PubChem (CID 178168035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).