3-(diethylamino)oxolane-3-carboxylic acid

C9H17NO3 — CID 63333323

IUPAC3-(diethylamino)oxolane-3-carboxylic acid
SMILESCCN(CC)C1(C(=O)O)CCOC1
InChIInChI=1S/C9H17NO3/c1-3-10(4-2)9(8(11)12)5-6-13-7-9/h3-7H2,1-2H3,(H,11,12)
InChIKeyHMHUCENWTPZGBR-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.57
Rot. Bonds4

About 3-(diethylamino)oxolane-3-carboxylic acid

3-(diethylamino)oxolane-3-carboxylic acid (PubChem CID 63333323) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 3-(diethylamino)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-(diethylamino)oxolane-3-carboxylic acid
PubChem CID63333323
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name3-(diethylamino)oxolane-3-carboxylic acid
SMILESCCN(CC)C1(C(=O)O)CCOC1
InChIInChI=1S/C9H17NO3/c1-3-10(4-2)9(8(11)12)5-6-13-7-9/h3-7H2,1-2H3,(H,11,12)
InChIKeyHMHUCENWTPZGBR-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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Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)oxolane-3-carboxylic acid?
The IUPAC name of 3-(diethylamino)oxolane-3-carboxylic acid (CID 63333323) is 3-(diethylamino)oxolane-3-carboxylic acid.
What is the SMILES notation for 3-(diethylamino)oxolane-3-carboxylic acid?
The canonical SMILES for 3-(diethylamino)oxolane-3-carboxylic acid is CCN(CC)C1(C(=O)O)CCOC1.
What is the InChIKey of 3-(diethylamino)oxolane-3-carboxylic acid?
The InChIKey is HMHUCENWTPZGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-3-10(4-2)9(8(11)12)5-6-13-7-9/h3-7H2,1-2H3,(H,11,12).
What are the key properties of 3-(diethylamino)oxolane-3-carboxylic acid?
3-(diethylamino)oxolane-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-(diethylamino)oxolane-3-carboxylic acid is sourced from PubChem (CID 63333323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).