1-(3-ethoxy-2-hydroxypropyl)-3-propylpyrrolidine-3-carboxylic acid

C13H25NO4 — CID 63932595

IUPAC1-(3-ethoxy-2-hydroxypropyl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(CC(O)COCC)C1
InChIInChI=1S/C13H25NO4/c1-3-5-13(12(16)17)6-7-14(10-13)8-11(15)9-18-4-2/h11,15H,3-10H2,1-2H3,(H,16,17)
InChIKeyCDQYDNPMMZAVLG-UHFFFAOYSA-N
MW259.35 g/mol
LogP0.96
Rot. Bonds8

About 1-(3-ethoxy-2-hydroxypropyl)-3-propylpyrrolidine-3-carboxylic acid

1-(3-ethoxy-2-hydroxypropyl)-3-propylpyrrolidine-3-carboxylic acid (PubChem CID 63932595) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-(3-ethoxy-2-hydroxypropyl)-3-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-ethoxy-2-hydroxypropyl)-3-propylpyrrolidine-3-carboxylic acid
PubChem CID63932595
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Name1-(3-ethoxy-2-hydroxypropyl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(CC(O)COCC)C1
InChIInChI=1S/C13H25NO4/c1-3-5-13(12(16)17)6-7-14(10-13)8-11(15)9-18-4-2/h11,15H,3-10H2,1-2H3,(H,16,17)
InChIKeyCDQYDNPMMZAVLG-UHFFFAOYSA-N
XLogP0.96
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-butoxy-2-hydroxypropyl)-3-propylpyrrolidine-3-carboxylic acid
CID 107263583
1-[2-hydroxy-3-(2-methoxyethoxy)propyl]-3-propylpiperidine-3-carboxylic acid
CID 106991436
1-(4,4-dimethylpiperidin-1-yl)-3-ethoxypropan-2-ol
CID 63931924
1-(3-methoxypropyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63152515
1-[3-(2-methoxyethoxy)propyl]-3-propylpyrrolidine-3-carboxylic acid
CID 103410884
1-(2-chloroprop-2-enyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63148411
3-ethyl-1-(2-methylpropyl)pyrrolidine-3-carboxylic acid
CID 55222175
1-(3-amino-2-methyl-3-oxopropyl)-4-propylpiperidine-4-carboxylic acid
CID 63126829
1-(2-ethoxyethyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 63148735
1-(4-methylsulfanylbutyl)-3-propylpyrrolidine-3-carboxylic acid
CID 103090450
1-(3-phenylbutyl)-3-propylpyrrolidine-3-carboxylic acid
CID 65068754
1-[4-(diethylamino)-4-oxobutyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63148499

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-2-hydroxypropyl)-3-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(3-ethoxy-2-hydroxypropyl)-3-propylpyrrolidine-3-carboxylic acid (CID 63932595) is 1-(3-ethoxy-2-hydroxypropyl)-3-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-ethoxy-2-hydroxypropyl)-3-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(3-ethoxy-2-hydroxypropyl)-3-propylpyrrolidine-3-carboxylic acid is CCCC1(C(=O)O)CCN(CC(O)COCC)C1.
What is the InChIKey of 1-(3-ethoxy-2-hydroxypropyl)-3-propylpyrrolidine-3-carboxylic acid?
The InChIKey is CDQYDNPMMZAVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-3-5-13(12(16)17)6-7-14(10-13)8-11(15)9-18-4-2/h11,15H,3-10H2,1-2H3,(H,16,17).
What are the key properties of 1-(3-ethoxy-2-hydroxypropyl)-3-propylpyrrolidine-3-carboxylic acid?
1-(3-ethoxy-2-hydroxypropyl)-3-propylpyrrolidine-3-carboxylic acid has a molecular weight of 259.35 g/mol, XLogP of 0.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-2-hydroxypropyl)-3-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63932595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).