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

C16H32N2O2 — CID 63911708

IUPACethyl 2-cyclopropyl-2-(ethylamino)-3-[methyl(pentan-2-yl)amino]propanoate
SMILESCCCC(C)N(C)CC(NCC)(C(=O)OCC)C1CC1
InChIInChI=1S/C16H32N2O2/c1-6-9-13(4)18(5)12-16(17-7-2,14-10-11-14)15(19)20-8-3/h13-14,17H,6-12H2,1-5H3
InChIKeyFCSOCCNBQNDOKG-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.43
Rot. Bonds10

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

ethyl 2-cyclopropyl-2-(ethylamino)-3-[methyl(pentan-2-yl)amino]propanoate (PubChem CID 63911708) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is ethyl 2-cyclopropyl-2-(ethylamino)-3-[methyl(pentan-2-yl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-cyclopropyl-2-(ethylamino)-3-[methyl(pentan-2-yl)amino]propanoate
PubChem CID63911708
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Nameethyl 2-cyclopropyl-2-(ethylamino)-3-[methyl(pentan-2-yl)amino]propanoate
SMILESCCCC(C)N(C)CC(NCC)(C(=O)OCC)C1CC1
InChIInChI=1S/C16H32N2O2/c1-6-9-13(4)18(5)12-16(17-7-2,14-10-11-14)15(19)20-8-3/h13-14,17H,6-12H2,1-5H3
InChIKeyFCSOCCNBQNDOKG-UHFFFAOYSA-N
XLogP2.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propylamino)propanoate
CID 63911314
ethyl 2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propan-2-ylamino)propanoate
CID 63909152
methyl 2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propan-2-ylamino)propanoate
CID 63911706
ethyl 2-cyclopropyl-3-[cyclopropyl(2-methylpropyl)amino]-2-(ethylamino)propanoate
CID 63911546
ethyl 2-cyclopropyl-2-(ethylamino)-3-[2-methoxyethyl(propan-2-yl)amino]propanoate
CID 82942442
ethyl 2-cyclopropyl-2-(ethylamino)-3-[ethyl(1-methoxypropan-2-yl)amino]propanoate
CID 63910545
ethyl 2-cyclopropyl-3-[1-cyclopropylethyl(methyl)amino]-2-(methylamino)propanoate
CID 63909341
ethyl 2-cyclopropyl-3-[2,2-dimethylpropyl(methyl)amino]-2-(propylamino)propanoate
CID 63911759
2-cyclopropyl-2-(ethylamino)-3-[methyl(propan-2-yl)amino]propanamide
CID 63907689
2-cyclopropyl-2-(ethylamino)-3-[methyl(pentan-2-yl)amino]propan-1-ol
CID 64797937
methyl 2-cyclopropyl-3-(dimethylamino)-2-(ethylamino)propanoate
CID 63906010
ethyl 2-cyclopropyl-2-(ethylamino)-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 63921714

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclopropyl-2-(ethylamino)-3-[methyl(pentan-2-yl)amino]propanoate?
The IUPAC name of ethyl 2-cyclopropyl-2-(ethylamino)-3-[methyl(pentan-2-yl)amino]propanoate (CID 63911708) is ethyl 2-cyclopropyl-2-(ethylamino)-3-[methyl(pentan-2-yl)amino]propanoate.
What is the SMILES notation for ethyl 2-cyclopropyl-2-(ethylamino)-3-[methyl(pentan-2-yl)amino]propanoate?
The canonical SMILES for ethyl 2-cyclopropyl-2-(ethylamino)-3-[methyl(pentan-2-yl)amino]propanoate is CCCC(C)N(C)CC(NCC)(C(=O)OCC)C1CC1.
What is the InChIKey of ethyl 2-cyclopropyl-2-(ethylamino)-3-[methyl(pentan-2-yl)amino]propanoate?
The InChIKey is FCSOCCNBQNDOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-6-9-13(4)18(5)12-16(17-7-2,14-10-11-14)15(19)20-8-3/h13-14,17H,6-12H2,1-5H3.
What are the key properties of ethyl 2-cyclopropyl-2-(ethylamino)-3-[methyl(pentan-2-yl)amino]propanoate?
ethyl 2-cyclopropyl-2-(ethylamino)-3-[methyl(pentan-2-yl)amino]propanoate has a molecular weight of 284.44 g/mol, XLogP of 2.43, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclopropyl-2-(ethylamino)-3-[methyl(pentan-2-yl)amino]propanoate is sourced from PubChem (CID 63911708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).