ethyl 3-[2-(3-hydroxybutyl)-3-pyridinyl]propanoate

C14H21NO3 — CID 24806985

IUPACethyl 3-[2-(3-hydroxybutyl)-3-pyridinyl]propanoate
SMILESCCOC(=O)CCc1cccnc1CCC(C)O
InChIInChI=1S/C14H21NO3/c1-3-18-14(17)9-7-12-5-4-10-15-13(12)8-6-11(2)16/h4-5,10-11,16H,3,6-9H2,1-2H3
InChIKeySOANVTFTDDNNNM-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.89
Rot. Bonds7

About ethyl 3-[2-(3-hydroxybutyl)-3-pyridinyl]propanoate

ethyl 3-[2-(3-hydroxybutyl)-3-pyridinyl]propanoate (PubChem CID 24806985) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is ethyl 3-[2-(3-hydroxybutyl)-3-pyridinyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-(3-hydroxybutyl)-3-pyridinyl]propanoate
PubChem CID24806985
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Nameethyl 3-[2-(3-hydroxybutyl)-3-pyridinyl]propanoate
SMILESCCOC(=O)CCc1cccnc1CCC(C)O
InChIInChI=1S/C14H21NO3/c1-3-18-14(17)9-7-12-5-4-10-15-13(12)8-6-11(2)16/h4-5,10-11,16H,3,6-9H2,1-2H3
InChIKeySOANVTFTDDNNNM-UHFFFAOYSA-N
XLogP1.89
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[2-(difluoromethyl)-3-pyridinyl]acetate
CID 134663371
ethyl 3-[2-(methoxymethoxy)phenyl]propanoate
CID 102097984
ethyl 4-(3-ethyl-2-pyridinyl)-4-oxobutanoate
CID 82741416
2-[2-amino-3-(3-ethoxy-3-oxopropyl)phenyl]-2-hydroxyacetic acid
CID 118825025
4-[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]butan-2-ol
CID 115982097
ethyl 3-[2-[2-bromo-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-pyridinyl]propanoate
CID 58946045
ethyl 2-quinolin-8-ylacetate
CID 52562898
azane;ethyl 2-(2-benzyl-3-pyridinyl)acetate
CID 174610812
ethyl 2-[[2-(aminomethyl)-3-pyridinyl]methyl-propan-2-ylamino]acetate
CID 63383170
ethyl 3-[2-(1,1-difluoroethyl)phenyl]propanoate
CID 134444752
3-(3-methyl-2-pyridinyl)propanamide
CID 20592751
ethyl 4-(5-chloroquinolin-8-yl)-4-hydroxybutanoate
CID 115960222

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(3-hydroxybutyl)-3-pyridinyl]propanoate?
The IUPAC name of ethyl 3-[2-(3-hydroxybutyl)-3-pyridinyl]propanoate (CID 24806985) is ethyl 3-[2-(3-hydroxybutyl)-3-pyridinyl]propanoate.
What is the SMILES notation for ethyl 3-[2-(3-hydroxybutyl)-3-pyridinyl]propanoate?
The canonical SMILES for ethyl 3-[2-(3-hydroxybutyl)-3-pyridinyl]propanoate is CCOC(=O)CCc1cccnc1CCC(C)O.
What is the InChIKey of ethyl 3-[2-(3-hydroxybutyl)-3-pyridinyl]propanoate?
The InChIKey is SOANVTFTDDNNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-3-18-14(17)9-7-12-5-4-10-15-13(12)8-6-11(2)16/h4-5,10-11,16H,3,6-9H2,1-2H3.
What are the key properties of ethyl 3-[2-(3-hydroxybutyl)-3-pyridinyl]propanoate?
ethyl 3-[2-(3-hydroxybutyl)-3-pyridinyl]propanoate has a molecular weight of 251.33 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(3-hydroxybutyl)-3-pyridinyl]propanoate is sourced from PubChem (CID 24806985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).