ethyl 2-cyclopropyl-2-(ethylamino)-3-(2-propan-2-ylimidazol-1-yl)propanoate

C16H27N3O2 — CID 63918712

IUPACethyl 2-cyclopropyl-2-(ethylamino)-3-(2-propan-2-ylimidazol-1-yl)propanoate
SMILESCCNC(Cn1ccnc1C(C)C)(C(=O)OCC)C1CC1
InChIInChI=1S/C16H27N3O2/c1-5-18-16(13-7-8-13,15(20)21-6-2)11-19-10-9-17-14(19)12(3)4/h9-10,12-13,18H,5-8,11H2,1-4H3
InChIKeyNNAXBOBRGOUVEN-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.33
Rot. Bonds8

About ethyl 2-cyclopropyl-2-(ethylamino)-3-(2-propan-2-ylimidazol-1-yl)propanoate

ethyl 2-cyclopropyl-2-(ethylamino)-3-(2-propan-2-ylimidazol-1-yl)propanoate (PubChem CID 63918712) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is ethyl 2-cyclopropyl-2-(ethylamino)-3-(2-propan-2-ylimidazol-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-cyclopropyl-2-(ethylamino)-3-(2-propan-2-ylimidazol-1-yl)propanoate
PubChem CID63918712
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Nameethyl 2-cyclopropyl-2-(ethylamino)-3-(2-propan-2-ylimidazol-1-yl)propanoate
SMILESCCNC(Cn1ccnc1C(C)C)(C(=O)OCC)C1CC1
InChIInChI=1S/C16H27N3O2/c1-5-18-16(13-7-8-13,15(20)21-6-2)11-19-10-9-17-14(19)12(3)4/h9-10,12-13,18H,5-8,11H2,1-4H3
InChIKeyNNAXBOBRGOUVEN-UHFFFAOYSA-N
XLogP2.33
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-2-(methylamino)-3-(2-propan-2-ylimidazol-1-yl)propanamide
CID 63921265
2-amino-2-cyclopropyl-3-(2-propan-2-ylimidazol-1-yl)propanamide
CID 63921658
ethyl 2-cyclopropyl-2-(ethylamino)-3-(4-ethylpiperazin-1-yl)propanoate
CID 63905558
ethyl 2-cyclopropyl-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)propanoate
CID 63921481
ethyl 2-cyclopropyl-2-(ethylamino)-3-(4-methylpiperazin-1-yl)propanoate
CID 63907855
N-cyclopentyloxy-2-(2-propan-2-ylimidazol-1-yl)acetamide
CID 167840548
ethyl 2-cyclopropyl-2-(ethylamino)-3-(4-methylpyrimidin-2-yl)sulfanylpropanoate
CID 63919464
ethyl 2-cyclopropyl-3-(3,3-dimethylbutoxy)-2-(ethylamino)propanoate
CID 66226799
methyl 2-methyl-3-(2-propan-2-ylimidazol-1-yl)propanoate
CID 43538211
ethyl 2-cyclopropyl-3-(2,3-dimethylpiperidin-1-yl)-2-(ethylamino)propanoate
CID 63926194
ethyl 2-cyclopropyl-2-(ethylamino)-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 63921714
ethyl 2-cyclopropyl-2-(ethylamino)-3-[methyl(pentan-2-yl)amino]propanoate
CID 63911708

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclopropyl-2-(ethylamino)-3-(2-propan-2-ylimidazol-1-yl)propanoate?
The IUPAC name of ethyl 2-cyclopropyl-2-(ethylamino)-3-(2-propan-2-ylimidazol-1-yl)propanoate (CID 63918712) is ethyl 2-cyclopropyl-2-(ethylamino)-3-(2-propan-2-ylimidazol-1-yl)propanoate.
What is the SMILES notation for ethyl 2-cyclopropyl-2-(ethylamino)-3-(2-propan-2-ylimidazol-1-yl)propanoate?
The canonical SMILES for ethyl 2-cyclopropyl-2-(ethylamino)-3-(2-propan-2-ylimidazol-1-yl)propanoate is CCNC(Cn1ccnc1C(C)C)(C(=O)OCC)C1CC1.
What is the InChIKey of ethyl 2-cyclopropyl-2-(ethylamino)-3-(2-propan-2-ylimidazol-1-yl)propanoate?
The InChIKey is NNAXBOBRGOUVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-5-18-16(13-7-8-13,15(20)21-6-2)11-19-10-9-17-14(19)12(3)4/h9-10,12-13,18H,5-8,11H2,1-4H3.
What are the key properties of ethyl 2-cyclopropyl-2-(ethylamino)-3-(2-propan-2-ylimidazol-1-yl)propanoate?
ethyl 2-cyclopropyl-2-(ethylamino)-3-(2-propan-2-ylimidazol-1-yl)propanoate has a molecular weight of 293.41 g/mol, XLogP of 2.33, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclopropyl-2-(ethylamino)-3-(2-propan-2-ylimidazol-1-yl)propanoate is sourced from PubChem (CID 63918712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).