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

C13H26N2O2 — CID 63910297

IUPACethyl 2-amino-2-cyclopropyl-3-[ethyl(propan-2-yl)amino]propanoate
SMILESCCOC(=O)C(N)(CN(CC)C(C)C)C1CC1
InChIInChI=1S/C13H26N2O2/c1-5-15(10(3)4)9-13(14,11-7-8-11)12(16)17-6-2/h10-11H,5-9,14H2,1-4H3
InChIKeyMAKXUVCTTZYPMC-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.39
Rot. Bonds7

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

ethyl 2-amino-2-cyclopropyl-3-[ethyl(propan-2-yl)amino]propanoate (PubChem CID 63910297) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is ethyl 2-amino-2-cyclopropyl-3-[ethyl(propan-2-yl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-amino-2-cyclopropyl-3-[ethyl(propan-2-yl)amino]propanoate
PubChem CID63910297
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nameethyl 2-amino-2-cyclopropyl-3-[ethyl(propan-2-yl)amino]propanoate
SMILESCCOC(=O)C(N)(CN(CC)C(C)C)C1CC1
InChIInChI=1S/C13H26N2O2/c1-5-15(10(3)4)9-13(14,11-7-8-11)12(16)17-6-2/h10-11H,5-9,14H2,1-4H3
InChIKeyMAKXUVCTTZYPMC-UHFFFAOYSA-N
XLogP1.39
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-amino-2-cyclopropyl-3-[propan-2-yl(propyl)amino]propanoate
CID 63910108
ethyl 2-amino-2-cyclopropyl-3-[cyclopropylmethyl(propan-2-yl)amino]propanoate
CID 63918207
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
methyl 2-amino-2-cyclopropyl-3-[1-(dimethylamino)propan-2-yl-ethylamino]propanoate
CID 103190963
ethyl 2-amino-3-[cyclohexyl(ethyl)amino]-2-cyclopropylpropanoate
CID 63908666
ethyl 2-amino-2-cyclopropyl-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propanoate
CID 63911135
ethyl 2-amino-2-cyclopropyl-3-[methyl(2-methylbutan-2-yl)amino]propanoate
CID 63967341
ethyl 2-amino-2-cyclopropyl-3-[cyclopropylmethyl(propyl)amino]propanoate
CID 63910163
2-amino-2-cyclopropyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanamide
CID 63909560
ethyl 2-cyclopropyl-3-[cyclopropylmethyl(propan-2-yl)amino]-2-(methylamino)propanoate
CID 63915479
ethyl 2-amino-2-cyclopropyl-3-[2-(2-methoxyethoxy)ethoxy]propanoate
CID 104565266

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-cyclopropyl-3-[ethyl(propan-2-yl)amino]propanoate?
The IUPAC name of ethyl 2-amino-2-cyclopropyl-3-[ethyl(propan-2-yl)amino]propanoate (CID 63910297) is ethyl 2-amino-2-cyclopropyl-3-[ethyl(propan-2-yl)amino]propanoate.
What is the SMILES notation for ethyl 2-amino-2-cyclopropyl-3-[ethyl(propan-2-yl)amino]propanoate?
The canonical SMILES for ethyl 2-amino-2-cyclopropyl-3-[ethyl(propan-2-yl)amino]propanoate is CCOC(=O)C(N)(CN(CC)C(C)C)C1CC1.
What is the InChIKey of ethyl 2-amino-2-cyclopropyl-3-[ethyl(propan-2-yl)amino]propanoate?
The InChIKey is MAKXUVCTTZYPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-5-15(10(3)4)9-13(14,11-7-8-11)12(16)17-6-2/h10-11H,5-9,14H2,1-4H3.
What are the key properties of ethyl 2-amino-2-cyclopropyl-3-[ethyl(propan-2-yl)amino]propanoate?
ethyl 2-amino-2-cyclopropyl-3-[ethyl(propan-2-yl)amino]propanoate has a molecular weight of 242.36 g/mol, XLogP of 1.39, 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-[ethyl(propan-2-yl)amino]propanoate is sourced from PubChem (CID 63910297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).