ethyl 2-amino-2-cyclopropyl-3-[ethyl(methyl)amino]propanoate

C11H22N2O2 — CID 63906608

IUPACethyl 2-amino-2-cyclopropyl-3-[ethyl(methyl)amino]propanoate
SMILESCCOC(=O)C(N)(CN(C)CC)C1CC1
InChIInChI=1S/C11H22N2O2/c1-4-13(3)8-11(12,9-6-7-9)10(14)15-5-2/h9H,4-8,12H2,1-3H3
InChIKeyNMVSOEOXBKXLQW-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.61
Rot. Bonds6

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

ethyl 2-amino-2-cyclopropyl-3-[ethyl(methyl)amino]propanoate (PubChem CID 63906608) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is ethyl 2-amino-2-cyclopropyl-3-[ethyl(methyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-amino-2-cyclopropyl-3-[ethyl(methyl)amino]propanoate
PubChem CID63906608
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Nameethyl 2-amino-2-cyclopropyl-3-[ethyl(methyl)amino]propanoate
SMILESCCOC(=O)C(N)(CN(C)CC)C1CC1
InChIInChI=1S/C11H22N2O2/c1-4-13(3)8-11(12,9-6-7-9)10(14)15-5-2/h9H,4-8,12H2,1-3H3
InChIKeyNMVSOEOXBKXLQW-UHFFFAOYSA-N
XLogP0.61
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-amino-2-cyclopropyl-3-[methyl(2-methylbutan-2-yl)amino]propanoate
CID 63967341
ethyl 2-amino-2-cyclopropyl-3-[ethyl(propan-2-yl)amino]propanoate
CID 63910297
ethyl 2-amino-2-cyclopropyl-3-[1-cyclopropylethyl(methyl)amino]propanoate
CID 63908948
ethyl 2-amino-3-[cyclohexyl(ethyl)amino]-2-cyclopropylpropanoate
CID 63908666
ethyl 2-amino-2-cyclopropyl-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanoate
CID 79309509
ethyl 2-amino-2-cyclopropyl-3-[propan-2-yl(propyl)amino]propanoate
CID 63910108
ethyl 2-amino-2-cyclopropyl-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propanoate
CID 63911135
ethyl 2-amino-2-cyclopropyl-3-[cyclopropylmethyl(propan-2-yl)amino]propanoate
CID 63918207
ethyl 2-amino-2-cyclopropyl-3-[cyclopropylmethyl(propyl)amino]propanoate
CID 63910163
methyl 2-amino-3-[butyl(methyl)amino]-2-cyclopropylpropanoate
CID 63907793
ethyl 2-amino-2-cyclopropyl-3-[2-(2-methoxyethoxy)ethoxy]propanoate
CID 104565266
2-amino-2-cyclopropyl-3-[2-ethoxyethyl(methyl)amino]propanamide
CID 81062105

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-cyclopropyl-3-[ethyl(methyl)amino]propanoate?
The IUPAC name of ethyl 2-amino-2-cyclopropyl-3-[ethyl(methyl)amino]propanoate (CID 63906608) is ethyl 2-amino-2-cyclopropyl-3-[ethyl(methyl)amino]propanoate.
What is the SMILES notation for ethyl 2-amino-2-cyclopropyl-3-[ethyl(methyl)amino]propanoate?
The canonical SMILES for ethyl 2-amino-2-cyclopropyl-3-[ethyl(methyl)amino]propanoate is CCOC(=O)C(N)(CN(C)CC)C1CC1.
What is the InChIKey of ethyl 2-amino-2-cyclopropyl-3-[ethyl(methyl)amino]propanoate?
The InChIKey is NMVSOEOXBKXLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-4-13(3)8-11(12,9-6-7-9)10(14)15-5-2/h9H,4-8,12H2,1-3H3.
What are the key properties of ethyl 2-amino-2-cyclopropyl-3-[ethyl(methyl)amino]propanoate?
ethyl 2-amino-2-cyclopropyl-3-[ethyl(methyl)amino]propanoate has a molecular weight of 214.31 g/mol, XLogP of 0.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-cyclopropyl-3-[ethyl(methyl)amino]propanoate is sourced from PubChem (CID 63906608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).