tert-butyl 2-(methylamino)cyclopropane-1-carboxylate

C9H17NO2 — CID 156544485

IUPACtert-butyl 2-(methylamino)cyclopropane-1-carboxylate
SMILESCNC1CC1C(=O)OC(C)(C)C
InChIInChI=1S/C9H17NO2/c1-9(2,3)12-8(11)6-5-7(6)10-4/h6-7,10H,5H2,1-4H3
InChIKeyMOALDCCPPHPZGE-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.94
Rot. Bonds2

About tert-butyl 2-(methylamino)cyclopropane-1-carboxylate

tert-butyl 2-(methylamino)cyclopropane-1-carboxylate (PubChem CID 156544485) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is tert-butyl 2-(methylamino)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(methylamino)cyclopropane-1-carboxylate
PubChem CID156544485
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Nametert-butyl 2-(methylamino)cyclopropane-1-carboxylate
SMILESCNC1CC1C(=O)OC(C)(C)C
InChIInChI=1S/C9H17NO2/c1-9(2,3)12-8(11)6-5-7(6)10-4/h6-7,10H,5H2,1-4H3
InChIKeyMOALDCCPPHPZGE-UHFFFAOYSA-N
XLogP0.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-(methylamino)cyclohexane-1-carboxylate
CID 70853538
cis-tert-butyl (1S,2R)-2-[[(1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclobutyl]carbamoylamino]cyclobutane-1-carboxylate
CID 11682154
tert-butyl 2-ethenylcyclopropane-1-carboxylate
CID 14140138
ditert-butyl (1R,3S,4S,6R)-7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate
CID 10924504
4-O-tert-butyl 2-O-methyl bicyclo[3.1.0]hexane-2,4-dicarboxylate
CID 53488450
cis-(1R,4S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid
CID 118566012
tritert-butyl cyclohexane-1,2,4-tricarboxylate
CID 23444068
cis-tert-butyl (1R,2S)-2-hydrazinylcyclohexane-1-carboxylate
CID 151224928
trans-1-O-tert-butyl 2-O-methyl (1R,2R)-cyclopentane-1,2-dicarboxylate
CID 70286212
tert-butyl 2-formylcyclobutane-1-carboxylate
CID 165438429
tert-butyl 2-ethylcyclopropane-1-carboxylate
CID 58558860
N-methyl-2-(methylamino)cyclopropane-1-carboxamide
CID 134458689

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(methylamino)cyclopropane-1-carboxylate?
The IUPAC name of tert-butyl 2-(methylamino)cyclopropane-1-carboxylate (CID 156544485) is tert-butyl 2-(methylamino)cyclopropane-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(methylamino)cyclopropane-1-carboxylate?
The canonical SMILES for tert-butyl 2-(methylamino)cyclopropane-1-carboxylate is CNC1CC1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(methylamino)cyclopropane-1-carboxylate?
The InChIKey is MOALDCCPPHPZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-9(2,3)12-8(11)6-5-7(6)10-4/h6-7,10H,5H2,1-4H3.
What are the key properties of tert-butyl 2-(methylamino)cyclopropane-1-carboxylate?
tert-butyl 2-(methylamino)cyclopropane-1-carboxylate has a molecular weight of 171.24 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(methylamino)cyclopropane-1-carboxylate is sourced from PubChem (CID 156544485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).