ethyl 2-amino-3,3-diethyl-2-methylcyclopropane-1-carboxylate

C11H21NO2 — CID 70539295

IUPACethyl 2-amino-3,3-diethyl-2-methylcyclopropane-1-carboxylate
SMILESCCOC(=O)C1C(C)(N)C1(CC)CC
InChIInChI=1S/C11H21NO2/c1-5-11(6-2)8(10(11,4)12)9(13)14-7-3/h8H,5-7,12H2,1-4H3
InChIKeyKUVMVUBAIPTGHT-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.70
Rot. Bonds4

About ethyl 2-amino-3,3-diethyl-2-methylcyclopropane-1-carboxylate

ethyl 2-amino-3,3-diethyl-2-methylcyclopropane-1-carboxylate (PubChem CID 70539295) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is ethyl 2-amino-3,3-diethyl-2-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-3,3-diethyl-2-methylcyclopropane-1-carboxylate
PubChem CID70539295
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Nameethyl 2-amino-3,3-diethyl-2-methylcyclopropane-1-carboxylate
SMILESCCOC(=O)C1C(C)(N)C1(CC)CC
InChIInChI=1S/C11H21NO2/c1-5-11(6-2)8(10(11,4)12)9(13)14-7-3/h8H,5-7,12H2,1-4H3
InChIKeyKUVMVUBAIPTGHT-UHFFFAOYSA-N
XLogP1.70
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-amino-2-methylcyclopropane-1-carboxylate
CID 70501712
ethyl (1R)-2,2-dimethylcyclopropane-1-carboxylate
CID 11378554
ethyl butanoate
CID 7762
ethyl (1,2-13C2)butanoate
CID 157463359
ethyl 3-fluoro-1-methylcyclobutane-1-carboxylate
CID 89136662
ethyl 3-oxo-3-(2,2,3,3-tetramethylcyclopropyl)propanoate
CID 22059352
tetraethyl bicyclo[2.2.2]oct-7-ene-2,3,5,6-tetracarboxylate
CID 12580813
ethyl 2-hydroxy-2,6,6-trimethylcyclohex-3-ene-1-carboxylate
CID 21430990
ethyl (4S)-4-ethenyl-2-ethyl-2-hydroxy-4-methyloxolane-3-carboxylate
CID 135057283
trans-ethyl (1R,3R)-3-[(2R)-3,3-dimethyloxiran-2-yl]-2,2-dimethylcyclopropane-1-carboxylate
CID 134865011
diethyl (4R,5R)-2-methoxy-2-methyl-1,3-dioxolane-4,5-dicarboxylate
CID 14972311
ethyl 3-ethoxy-2,2-dimethylcyclopropane-1-carboxylate
CID 139889591

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3,3-diethyl-2-methylcyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-amino-3,3-diethyl-2-methylcyclopropane-1-carboxylate (CID 70539295) is ethyl 2-amino-3,3-diethyl-2-methylcyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-amino-3,3-diethyl-2-methylcyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-amino-3,3-diethyl-2-methylcyclopropane-1-carboxylate is CCOC(=O)C1C(C)(N)C1(CC)CC.
What is the InChIKey of ethyl 2-amino-3,3-diethyl-2-methylcyclopropane-1-carboxylate?
The InChIKey is KUVMVUBAIPTGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-5-11(6-2)8(10(11,4)12)9(13)14-7-3/h8H,5-7,12H2,1-4H3.
What are the key properties of ethyl 2-amino-3,3-diethyl-2-methylcyclopropane-1-carboxylate?
ethyl 2-amino-3,3-diethyl-2-methylcyclopropane-1-carboxylate has a molecular weight of 199.29 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3,3-diethyl-2-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 70539295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).