ethyl 2-amino-2-methylcyclopropane-1-carboxylate

C7H13NO2 — CID 70501712

IUPACethyl 2-amino-2-methylcyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1(C)N
InChIInChI=1S/C7H13NO2/c1-3-10-6(9)5-4-7(5,2)8/h5H,3-4,8H2,1-2H3
InChIKeyJFKJIYMLVRZZAG-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.29
Rot. Bonds2

About ethyl 2-amino-2-methylcyclopropane-1-carboxylate

ethyl 2-amino-2-methylcyclopropane-1-carboxylate (PubChem CID 70501712) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is ethyl 2-amino-2-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-2-methylcyclopropane-1-carboxylate
PubChem CID70501712
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Nameethyl 2-amino-2-methylcyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1(C)N
InChIInChI=1S/C7H13NO2/c1-3-10-6(9)5-4-7(5,2)8/h5H,3-4,8H2,1-2H3
InChIKeyJFKJIYMLVRZZAG-UHFFFAOYSA-N
XLogP0.29
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (1R)-2,2-dimethylcyclopropane-1-carboxylate
CID 11378554
ethyl 2-bromo-2-fluorocyclopropane-1-carboxylate
CID 22371314
ethyl 5,5,7,7-tetramethylspiro[2.5]octane-2-carboxylate
CID 67102506
ethyl (1S)-2,2-dicarbonochloridoylcyclopropane-1-carboxylate
CID 129386310
ethyl 4-hydrazinyl-2,2-dimethylcyclohexane-1-carboxylate
CID 118383562
ethyl 2-chloro-2-formylcyclopropane-1-carboxylate
CID 130035467
cis-ethyl (1S,2S)-2-hexyl-2-methylcyclopropane-1-carboxylate
CID 102020755
diethyl 1-amino-4-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylate
CID 123399551
cis-ethyl (1S,4S)-4-hydrazinyl-2,2-dimethylcyclohexane-1-carboxylate;hydrochloride
CID 118383556
ethyl 2,2-difluorocyclobutane-1-carboxylate
CID 130638255
ethyl 5-oxaspiro[2.4]heptane-2-carboxylate
CID 130668492
ethyl 2-ethenyl-2-methylcyclobutane-1-carboxylate
CID 21494881

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-methylcyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-amino-2-methylcyclopropane-1-carboxylate (CID 70501712) is ethyl 2-amino-2-methylcyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-amino-2-methylcyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-amino-2-methylcyclopropane-1-carboxylate is CCOC(=O)C1CC1(C)N.
What is the InChIKey of ethyl 2-amino-2-methylcyclopropane-1-carboxylate?
The InChIKey is JFKJIYMLVRZZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-3-10-6(9)5-4-7(5,2)8/h5H,3-4,8H2,1-2H3.
What are the key properties of ethyl 2-amino-2-methylcyclopropane-1-carboxylate?
ethyl 2-amino-2-methylcyclopropane-1-carboxylate has a molecular weight of 143.19 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 70501712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).