ethyl 2-methyl-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propanoate

C13H25NO2 — CID 79357961

IUPACethyl 2-methyl-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propanoate
SMILESCCOC(=O)C(C)CNC1C(C)(C)C1(C)C
InChIInChI=1S/C13H25NO2/c1-7-16-10(15)9(2)8-14-11-12(3,4)13(11,5)6/h9,11,14H,7-8H2,1-6H3
InChIKeyVNIGNPLWIAFKAL-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.21
Rot. Bonds5

About ethyl 2-methyl-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propanoate

ethyl 2-methyl-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propanoate (PubChem CID 79357961) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is ethyl 2-methyl-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propanoate
PubChem CID79357961
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Nameethyl 2-methyl-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propanoate
SMILESCCOC(=O)C(C)CNC1C(C)(C)C1(C)C
InChIInChI=1S/C13H25NO2/c1-7-16-10(15)9(2)8-14-11-12(3,4)13(11,5)6/h9,11,14H,7-8H2,1-6H3
InChIKeyVNIGNPLWIAFKAL-UHFFFAOYSA-N
XLogP2.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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ethyl 3-[(1-aminocyclopropanecarbonyl)amino]-2-methylpropanoate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propanoate?
The IUPAC name of ethyl 2-methyl-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propanoate (CID 79357961) is ethyl 2-methyl-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propanoate.
What is the SMILES notation for ethyl 2-methyl-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propanoate?
The canonical SMILES for ethyl 2-methyl-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propanoate is CCOC(=O)C(C)CNC1C(C)(C)C1(C)C.
What is the InChIKey of ethyl 2-methyl-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propanoate?
The InChIKey is VNIGNPLWIAFKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-7-16-10(15)9(2)8-14-11-12(3,4)13(11,5)6/h9,11,14H,7-8H2,1-6H3.
What are the key properties of ethyl 2-methyl-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propanoate?
ethyl 2-methyl-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propanoate has a molecular weight of 227.35 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propanoate is sourced from PubChem (CID 79357961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).