ethyl 3-cyclopropyl-3-(2-methyl-4-pyridinyl)propanoate

C14H19NO2 — CID 176905020

IUPACethyl 3-cyclopropyl-3-(2-methyl-4-pyridinyl)propanoate
SMILESCCOC(=O)CC(c1ccnc(C)c1)C1CC1
InChIInChI=1S/C14H19NO2/c1-3-17-14(16)9-13(11-4-5-11)12-6-7-15-10(2)8-12/h6-8,11,13H,3-5,9H2,1-2H3
InChIKeyUOKGCFYGPGUPKX-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.84
Rot. Bonds5

About ethyl 3-cyclopropyl-3-(2-methyl-4-pyridinyl)propanoate

ethyl 3-cyclopropyl-3-(2-methyl-4-pyridinyl)propanoate (PubChem CID 176905020) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is ethyl 3-cyclopropyl-3-(2-methyl-4-pyridinyl)propanoate.

Molecular Properties

Compound Nameethyl 3-cyclopropyl-3-(2-methyl-4-pyridinyl)propanoate
PubChem CID176905020
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Nameethyl 3-cyclopropyl-3-(2-methyl-4-pyridinyl)propanoate
SMILESCCOC(=O)CC(c1ccnc(C)c1)C1CC1
InChIInChI=1S/C14H19NO2/c1-3-17-14(16)9-13(11-4-5-11)12-6-7-15-10(2)8-12/h6-8,11,13H,3-5,9H2,1-2H3
InChIKeyUOKGCFYGPGUPKX-UHFFFAOYSA-N
XLogP2.84
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ibuprofen Piconol
CID 3673
Ethyl 3-pyridylacetate
CID 96490
3-Pyridinebutanoic acid
CID 114
Diethyl 1',2',6'-trimethyl-1',4'-dihydro-2,4'-bipyridine-3',5'-dicarboxylate
CID 674186
Sulcatin
CID 10329907
Ethyl 2-cyano-2-(pyridin-2-yl)acetate
CID 2842210
Methyl 2-pyridylacetate
CID 74264
Ethyl 2-pyridylacetate
CID 75960
(+/-)-threo-N-(2-Methylpyridine)methylphenidate
CID 52943483
(+/-)-threo-N-(4-Methylpyridine)methylphenidate
CID 52950138
5-[1-Phenyl-1-pyridin-3-yl-meth-(Z)-ylideneaminooxy]-pentanoic acid ethyl ester
CID 14820371
5-(Phenyl-pyridin-3-yl-methyleneaminooxy)-pentanoic acid ethyl ester
CID 14820372

Frequently Asked Questions

What is the IUPAC name of ethyl 3-cyclopropyl-3-(2-methyl-4-pyridinyl)propanoate?
The IUPAC name of ethyl 3-cyclopropyl-3-(2-methyl-4-pyridinyl)propanoate (CID 176905020) is ethyl 3-cyclopropyl-3-(2-methyl-4-pyridinyl)propanoate.
What is the SMILES notation for ethyl 3-cyclopropyl-3-(2-methyl-4-pyridinyl)propanoate?
The canonical SMILES for ethyl 3-cyclopropyl-3-(2-methyl-4-pyridinyl)propanoate is CCOC(=O)CC(c1ccnc(C)c1)C1CC1.
What is the InChIKey of ethyl 3-cyclopropyl-3-(2-methyl-4-pyridinyl)propanoate?
The InChIKey is UOKGCFYGPGUPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-17-14(16)9-13(11-4-5-11)12-6-7-15-10(2)8-12/h6-8,11,13H,3-5,9H2,1-2H3.
What are the key properties of ethyl 3-cyclopropyl-3-(2-methyl-4-pyridinyl)propanoate?
ethyl 3-cyclopropyl-3-(2-methyl-4-pyridinyl)propanoate has a molecular weight of 233.31 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyclopropyl-3-(2-methyl-4-pyridinyl)propanoate is sourced from PubChem (CID 176905020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).