ethyl 2-amino-2-cyclopropyl-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propanoate

C16H33N3O2 — CID 63911135

IUPACethyl 2-amino-2-cyclopropyl-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propanoate
SMILESCCOC(=O)C(N)(CN(CCN(C)C)CC(C)C)C1CC1
InChIInChI=1S/C16H33N3O2/c1-6-21-15(20)16(17,14-7-8-14)12-19(11-13(2)3)10-9-18(4)5/h13-14H,6-12,17H2,1-5H3
InChIKeyWYEDTFXPOZSXRY-UHFFFAOYSA-N
MW299.46 g/mol
LogP1.18
Rot. Bonds10

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

ethyl 2-amino-2-cyclopropyl-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propanoate (PubChem CID 63911135) has the molecular formula C16H33N3O2 and a molecular weight of 299.46 g/mol. Its IUPAC name is ethyl 2-amino-2-cyclopropyl-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-amino-2-cyclopropyl-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propanoate
PubChem CID63911135
Molecular FormulaC16H33N3O2
Molecular Weight299.46 g/mol
Exact Mass299.26
IUPAC Nameethyl 2-amino-2-cyclopropyl-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propanoate
SMILESCCOC(=O)C(N)(CN(CCN(C)C)CC(C)C)C1CC1
InChIInChI=1S/C16H33N3O2/c1-6-21-15(20)16(17,14-7-8-14)12-19(11-13(2)3)10-9-18(4)5/h13-14H,6-12,17H2,1-5H3
InChIKeyWYEDTFXPOZSXRY-UHFFFAOYSA-N
XLogP1.18
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-amino-2-cyclopropyl-3-[2-(dimethylamino)ethyl-propylamino]propanoate
CID 63921401
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-[propan-2-yl(propyl)amino]propanoate
CID 63910108
ethyl 2-amino-2-cyclopropyl-3-[ethyl(propan-2-yl)amino]propanoate
CID 63910297
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
ethyl 2-amino-2-cyclopropyl-3-[cyclopropylmethyl(propan-2-yl)amino]propanoate
CID 63918207
ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(2-methylpropyl)amino]propanoate
CID 63906222
methyl 2-amino-2-cyclopropyl-3-[methyl(3-methylbutyl)amino]propanoate
CID 63916861
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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-cyclopropyl-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propanoate?
The IUPAC name of ethyl 2-amino-2-cyclopropyl-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propanoate (CID 63911135) is ethyl 2-amino-2-cyclopropyl-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propanoate.
What is the SMILES notation for ethyl 2-amino-2-cyclopropyl-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propanoate?
The canonical SMILES for ethyl 2-amino-2-cyclopropyl-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propanoate is CCOC(=O)C(N)(CN(CCN(C)C)CC(C)C)C1CC1.
What is the InChIKey of ethyl 2-amino-2-cyclopropyl-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propanoate?
The InChIKey is WYEDTFXPOZSXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2/c1-6-21-15(20)16(17,14-7-8-14)12-19(11-13(2)3)10-9-18(4)5/h13-14H,6-12,17H2,1-5H3.
What are the key properties of ethyl 2-amino-2-cyclopropyl-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propanoate?
ethyl 2-amino-2-cyclopropyl-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propanoate has a molecular weight of 299.46 g/mol, XLogP of 1.18, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-cyclopropyl-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propanoate is sourced from PubChem (CID 63911135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).