3-ethoxy-1-ethylpyrrolidine-3-carboxylic acid

C9H17NO3 — CID 105442578

IUPAC3-ethoxy-1-ethylpyrrolidine-3-carboxylic acid
SMILESCCOC1(C(=O)O)CCN(CC)C1
InChIInChI=1S/C9H17NO3/c1-3-10-6-5-9(7-10,8(11)12)13-4-2/h3-7H2,1-2H3,(H,11,12)
InChIKeyBDKAQJYUUUPFSZ-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.57
Rot. Bonds4

About 3-ethoxy-1-ethylpyrrolidine-3-carboxylic acid

3-ethoxy-1-ethylpyrrolidine-3-carboxylic acid (PubChem CID 105442578) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 3-ethoxy-1-ethylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethoxy-1-ethylpyrrolidine-3-carboxylic acid
PubChem CID105442578
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name3-ethoxy-1-ethylpyrrolidine-3-carboxylic acid
SMILESCCOC1(C(=O)O)CCN(CC)C1
InChIInChI=1S/C9H17NO3/c1-3-10-6-5-9(7-10,8(11)12)13-4-2/h3-7H2,1-2H3,(H,11,12)
InChIKeyBDKAQJYUUUPFSZ-UHFFFAOYSA-N
XLogP0.57
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-ethoxy-1-ethylpyrrolidin-3-yl)acetic acid
CID 105453579
1-benzyl-4-ethoxypiperidine-4-carboxylic acid
CID 84711075
1-cyclopropyl-4-ethoxypiperidine-4-carboxylic acid
CID 105466777
4-ethoxyoxane-4-carboxylic acid
CID 78969464
1-ethyl-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984242
3-ethoxythietane-3-carboxylic acid
CID 115012767
1-(4-ethoxy-1-methylpiperidin-4-yl)ethanone
CID 83225181
1-ethoxy-3-methylcyclobutane-1-carboxylic acid
CID 103565777
(3R)-1-ethyl-3-methylpiperidine-3-carboxylic acid
CID 26722586
4-(diethylamino)-1-ethylpiperidine-4-carboxylic acid
CID 43803639
1-ethyl-4-fluoropiperidine-4-carboxylic acid;hydrochloride
CID 90079651
1-ethyl-4-(methylamino)piperidine-4-carboxylic acid
CID 43753645

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-ethylpyrrolidine-3-carboxylic acid?
The IUPAC name of 3-ethoxy-1-ethylpyrrolidine-3-carboxylic acid (CID 105442578) is 3-ethoxy-1-ethylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-ethoxy-1-ethylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-ethoxy-1-ethylpyrrolidine-3-carboxylic acid is CCOC1(C(=O)O)CCN(CC)C1.
What is the InChIKey of 3-ethoxy-1-ethylpyrrolidine-3-carboxylic acid?
The InChIKey is BDKAQJYUUUPFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-3-10-6-5-9(7-10,8(11)12)13-4-2/h3-7H2,1-2H3,(H,11,12).
What are the key properties of 3-ethoxy-1-ethylpyrrolidine-3-carboxylic acid?
3-ethoxy-1-ethylpyrrolidine-3-carboxylic acid has a molecular weight of 187.24 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-ethylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 105442578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).