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

C14H28N2O2 — CID 63967341

IUPACethyl 2-amino-2-cyclopropyl-3-[methyl(2-methylbutan-2-yl)amino]propanoate
SMILESCCOC(=O)C(N)(CN(C)C(C)(C)CC)C1CC1
InChIInChI=1S/C14H28N2O2/c1-6-13(3,4)16(5)10-14(15,11-8-9-11)12(17)18-7-2/h11H,6-10,15H2,1-5H3
InChIKeyFXHRZYDSOOOPKI-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.78
Rot. Bonds7

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

ethyl 2-amino-2-cyclopropyl-3-[methyl(2-methylbutan-2-yl)amino]propanoate (PubChem CID 63967341) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is ethyl 2-amino-2-cyclopropyl-3-[methyl(2-methylbutan-2-yl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-amino-2-cyclopropyl-3-[methyl(2-methylbutan-2-yl)amino]propanoate
PubChem CID63967341
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Nameethyl 2-amino-2-cyclopropyl-3-[methyl(2-methylbutan-2-yl)amino]propanoate
SMILESCCOC(=O)C(N)(CN(C)C(C)(C)CC)C1CC1
InChIInChI=1S/C14H28N2O2/c1-6-13(3,4)16(5)10-14(15,11-8-9-11)12(17)18-7-2/h11H,6-10,15H2,1-5H3
InChIKeyFXHRZYDSOOOPKI-UHFFFAOYSA-N
XLogP1.78
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-amino-2-cyclopropyl-3-[ethyl(methyl)amino]propanoate
CID 63906608
ethyl 2-amino-2-cyclopropyl-3-[1-cyclopropylethyl(methyl)amino]propanoate
CID 63908948
ethyl 2-amino-2-cyclopropyl-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propanoate
CID 63911135
ethyl 2-amino-2-cyclopropyl-3-[ethyl(propan-2-yl)amino]propanoate
CID 63910297
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
ethyl 2-amino-3-[cyclohexyl(ethyl)amino]-2-cyclopropylpropanoate
CID 63908666
ethyl 2-amino-2-cyclopropyl-3-[propan-2-yl(propyl)amino]propanoate
CID 63910108
ethyl 2-amino-2-cyclopropyl-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanoate
CID 79309509
ethyl 2-amino-2-cyclopropyl-3-[2-(2-methoxyethoxy)ethoxy]propanoate
CID 104565266
ethyl 2-cyclopropyl-2-(methylamino)propanoate
CID 60788390
ethyl 2-amino-3-(cyclopentylmethylsulfanyl)-2-cyclopropylpropanoate
CID 63919480

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-cyclopropyl-3-[methyl(2-methylbutan-2-yl)amino]propanoate?
The IUPAC name of ethyl 2-amino-2-cyclopropyl-3-[methyl(2-methylbutan-2-yl)amino]propanoate (CID 63967341) is ethyl 2-amino-2-cyclopropyl-3-[methyl(2-methylbutan-2-yl)amino]propanoate.
What is the SMILES notation for ethyl 2-amino-2-cyclopropyl-3-[methyl(2-methylbutan-2-yl)amino]propanoate?
The canonical SMILES for ethyl 2-amino-2-cyclopropyl-3-[methyl(2-methylbutan-2-yl)amino]propanoate is CCOC(=O)C(N)(CN(C)C(C)(C)CC)C1CC1.
What is the InChIKey of ethyl 2-amino-2-cyclopropyl-3-[methyl(2-methylbutan-2-yl)amino]propanoate?
The InChIKey is FXHRZYDSOOOPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-6-13(3,4)16(5)10-14(15,11-8-9-11)12(17)18-7-2/h11H,6-10,15H2,1-5H3.
What are the key properties of ethyl 2-amino-2-cyclopropyl-3-[methyl(2-methylbutan-2-yl)amino]propanoate?
ethyl 2-amino-2-cyclopropyl-3-[methyl(2-methylbutan-2-yl)amino]propanoate has a molecular weight of 256.39 g/mol, XLogP of 1.78, 7 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-[methyl(2-methylbutan-2-yl)amino]propanoate is sourced from PubChem (CID 63967341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).