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

C17H32N2O2 — CID 63911546

IUPACethyl 2-cyclopropyl-3-[cyclopropyl(2-methylpropyl)amino]-2-(ethylamino)propanoate
SMILESCCNC(CN(CC(C)C)C1CC1)(C(=O)OCC)C1CC1
InChIInChI=1S/C17H32N2O2/c1-5-18-17(14-7-8-14,16(20)21-6-2)12-19(11-13(3)4)15-9-10-15/h13-15,18H,5-12H2,1-4H3
InChIKeyMVHALFACFAOZMM-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.43
Rot. Bonds10

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

ethyl 2-cyclopropyl-3-[cyclopropyl(2-methylpropyl)amino]-2-(ethylamino)propanoate (PubChem CID 63911546) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is ethyl 2-cyclopropyl-3-[cyclopropyl(2-methylpropyl)amino]-2-(ethylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-cyclopropyl-3-[cyclopropyl(2-methylpropyl)amino]-2-(ethylamino)propanoate
PubChem CID63911546
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Nameethyl 2-cyclopropyl-3-[cyclopropyl(2-methylpropyl)amino]-2-(ethylamino)propanoate
SMILESCCNC(CN(CC(C)C)C1CC1)(C(=O)OCC)C1CC1
InChIInChI=1S/C17H32N2O2/c1-5-18-17(14-7-8-14,16(20)21-6-2)12-19(11-13(3)4)15-9-10-15/h13-15,18H,5-12H2,1-4H3
InChIKeyMVHALFACFAOZMM-UHFFFAOYSA-N
XLogP2.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-cyclopropyl-2-(ethylamino)-3-[methyl(pentan-2-yl)amino]propanoate
CID 63911708
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-2-(cyclopropylamino)-3-[cyclopropyl(ethyl)amino]propanoate
CID 63911878
2-cyclopropyl-3-[cyclopropyl(ethyl)amino]-2-(ethylamino)propanamide
CID 63911879
ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(2-methylpropyl)amino]propanoate
CID 63906222
ethyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(ethylamino)-2-methylbutanoate
CID 78977417
ethyl 2-cyclopropyl-2-(ethylamino)-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 63921714
ethyl 2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propylamino)propanoate
CID 63911314
ethyl 2-cyclopropyl-3-[2,2-dimethylpropyl(methyl)amino]-2-(propylamino)propanoate
CID 63911759
methyl 2-cyclopropyl-3-(dimethylamino)-2-(ethylamino)propanoate
CID 63906010
ethyl 2-cyclopropyl-2-(ethylamino)-3-(4-ethylpiperazin-1-yl)propanoate
CID 63905558

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclopropyl-3-[cyclopropyl(2-methylpropyl)amino]-2-(ethylamino)propanoate?
The IUPAC name of ethyl 2-cyclopropyl-3-[cyclopropyl(2-methylpropyl)amino]-2-(ethylamino)propanoate (CID 63911546) is ethyl 2-cyclopropyl-3-[cyclopropyl(2-methylpropyl)amino]-2-(ethylamino)propanoate.
What is the SMILES notation for ethyl 2-cyclopropyl-3-[cyclopropyl(2-methylpropyl)amino]-2-(ethylamino)propanoate?
The canonical SMILES for ethyl 2-cyclopropyl-3-[cyclopropyl(2-methylpropyl)amino]-2-(ethylamino)propanoate is CCNC(CN(CC(C)C)C1CC1)(C(=O)OCC)C1CC1.
What is the InChIKey of ethyl 2-cyclopropyl-3-[cyclopropyl(2-methylpropyl)amino]-2-(ethylamino)propanoate?
The InChIKey is MVHALFACFAOZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-5-18-17(14-7-8-14,16(20)21-6-2)12-19(11-13(3)4)15-9-10-15/h13-15,18H,5-12H2,1-4H3.
What are the key properties of ethyl 2-cyclopropyl-3-[cyclopropyl(2-methylpropyl)amino]-2-(ethylamino)propanoate?
ethyl 2-cyclopropyl-3-[cyclopropyl(2-methylpropyl)amino]-2-(ethylamino)propanoate has a molecular weight of 296.45 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-3-[cyclopropyl(2-methylpropyl)amino]-2-(ethylamino)propanoate is sourced from PubChem (CID 63911546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).