ethyl 3-(3-cyclopropylimidazol-4-yl)-3-(dimethylamino)propanoate

C13H21N3O2 — CID 66139484

IUPACethyl 3-(3-cyclopropylimidazol-4-yl)-3-(dimethylamino)propanoate
SMILESCCOC(=O)CC(c1cncn1C1CC1)N(C)C
InChIInChI=1S/C13H21N3O2/c1-4-18-13(17)7-11(15(2)3)12-8-14-9-16(12)10-5-6-10/h8-11H,4-7H2,1-3H3
InChIKeySLSBYUQKBCZDKW-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.77
Rot. Bonds6

About ethyl 3-(3-cyclopropylimidazol-4-yl)-3-(dimethylamino)propanoate

ethyl 3-(3-cyclopropylimidazol-4-yl)-3-(dimethylamino)propanoate (PubChem CID 66139484) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is ethyl 3-(3-cyclopropylimidazol-4-yl)-3-(dimethylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-(3-cyclopropylimidazol-4-yl)-3-(dimethylamino)propanoate
PubChem CID66139484
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Nameethyl 3-(3-cyclopropylimidazol-4-yl)-3-(dimethylamino)propanoate
SMILESCCOC(=O)CC(c1cncn1C1CC1)N(C)C
InChIInChI=1S/C13H21N3O2/c1-4-18-13(17)7-11(15(2)3)12-8-14-9-16(12)10-5-6-10/h8-11H,4-7H2,1-3H3
InChIKeySLSBYUQKBCZDKW-UHFFFAOYSA-N
XLogP1.77
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-cyclopropylimidazol-4-yl)-3-(dimethylamino)propanoate?
The IUPAC name of ethyl 3-(3-cyclopropylimidazol-4-yl)-3-(dimethylamino)propanoate (CID 66139484) is ethyl 3-(3-cyclopropylimidazol-4-yl)-3-(dimethylamino)propanoate.
What is the SMILES notation for ethyl 3-(3-cyclopropylimidazol-4-yl)-3-(dimethylamino)propanoate?
The canonical SMILES for ethyl 3-(3-cyclopropylimidazol-4-yl)-3-(dimethylamino)propanoate is CCOC(=O)CC(c1cncn1C1CC1)N(C)C.
What is the InChIKey of ethyl 3-(3-cyclopropylimidazol-4-yl)-3-(dimethylamino)propanoate?
The InChIKey is SLSBYUQKBCZDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-4-18-13(17)7-11(15(2)3)12-8-14-9-16(12)10-5-6-10/h8-11H,4-7H2,1-3H3.
What are the key properties of ethyl 3-(3-cyclopropylimidazol-4-yl)-3-(dimethylamino)propanoate?
ethyl 3-(3-cyclopropylimidazol-4-yl)-3-(dimethylamino)propanoate has a molecular weight of 251.33 g/mol, XLogP of 1.77, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-cyclopropylimidazol-4-yl)-3-(dimethylamino)propanoate is sourced from PubChem (CID 66139484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).