ethyl 2-(3-hydroxy-1,5-dimethylpyrrolidin-3-yl)pentanoate

C13H25NO3 — CID 83043585

IUPACethyl 2-(3-hydroxy-1,5-dimethylpyrrolidin-3-yl)pentanoate
SMILESCCCC(C(=O)OCC)C1(O)CC(C)N(C)C1
InChIInChI=1S/C13H25NO3/c1-5-7-11(12(15)17-6-2)13(16)8-10(3)14(4)9-13/h10-11,16H,5-9H2,1-4H3
InChIKeyFKDBCSBKJBGSBH-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.42
Rot. Bonds5

About ethyl 2-(3-hydroxy-1,5-dimethylpyrrolidin-3-yl)pentanoate

ethyl 2-(3-hydroxy-1,5-dimethylpyrrolidin-3-yl)pentanoate (PubChem CID 83043585) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is ethyl 2-(3-hydroxy-1,5-dimethylpyrrolidin-3-yl)pentanoate.

Molecular Properties

Compound Nameethyl 2-(3-hydroxy-1,5-dimethylpyrrolidin-3-yl)pentanoate
PubChem CID83043585
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Nameethyl 2-(3-hydroxy-1,5-dimethylpyrrolidin-3-yl)pentanoate
SMILESCCCC(C(=O)OCC)C1(O)CC(C)N(C)C1
InChIInChI=1S/C13H25NO3/c1-5-7-11(12(15)17-6-2)13(16)8-10(3)14(4)9-13/h10-11,16H,5-9H2,1-4H3
InChIKeyFKDBCSBKJBGSBH-UHFFFAOYSA-N
XLogP1.42
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1,5-dimethyl-3-(propan-2-ylamino)pyrrolidine-3-carboxylate
CID 81467706
ethyl 2-(3-hydroxy-1-propan-2-ylpyrrolidin-3-yl)pentanoate
CID 83043694
ethyl 2-(3-ethoxy-1-hydroxycyclobutyl)butanoate
CID 106824079
ethyl 2-(1-ethyl-4-hydroxyazepan-4-yl)pentanoate
CID 83042795
ethyl 2-fluoro-2-(1-hydroxy-3-methylcyclobutyl)acetate
CID 103564898
ethyl 2-(1,5-dimethyl-3-piperidin-1-ylpyrrolidin-3-yl)acetate
CID 81468053
ethyl (2R)-2-methylaziridine-1-carboxylate
CID 129364107
ethyl 3-[2-(dimethylamino)ethylamino]-1,5-dimethylpyrrolidine-3-carboxylate
CID 81467403
1,5-dimethyl-3-prop-2-ynylpyrrolidin-3-ol
CID 81468643
ethyl 3-anilino-1,5-dimethylpyrrolidine-3-carboxylate
CID 81467504
ethyl 2-amino-3-(3,4-dimethylpiperazin-1-yl)propanoate
CID 63635584
3-amino-1,5-dimethylpyrrolidine-3-carboxamide
CID 81468515

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-hydroxy-1,5-dimethylpyrrolidin-3-yl)pentanoate?
The IUPAC name of ethyl 2-(3-hydroxy-1,5-dimethylpyrrolidin-3-yl)pentanoate (CID 83043585) is ethyl 2-(3-hydroxy-1,5-dimethylpyrrolidin-3-yl)pentanoate.
What is the SMILES notation for ethyl 2-(3-hydroxy-1,5-dimethylpyrrolidin-3-yl)pentanoate?
The canonical SMILES for ethyl 2-(3-hydroxy-1,5-dimethylpyrrolidin-3-yl)pentanoate is CCCC(C(=O)OCC)C1(O)CC(C)N(C)C1.
What is the InChIKey of ethyl 2-(3-hydroxy-1,5-dimethylpyrrolidin-3-yl)pentanoate?
The InChIKey is FKDBCSBKJBGSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-5-7-11(12(15)17-6-2)13(16)8-10(3)14(4)9-13/h10-11,16H,5-9H2,1-4H3.
What are the key properties of ethyl 2-(3-hydroxy-1,5-dimethylpyrrolidin-3-yl)pentanoate?
ethyl 2-(3-hydroxy-1,5-dimethylpyrrolidin-3-yl)pentanoate has a molecular weight of 243.35 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-hydroxy-1,5-dimethylpyrrolidin-3-yl)pentanoate is sourced from PubChem (CID 83043585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).