3-(2-chloroanilino)oxolane-3-carboxylic acid

C11H12ClNO3 — CID 63333124

IUPAC3-(2-chloroanilino)oxolane-3-carboxylic acid
SMILESO=C(O)C1(Nc2ccccc2Cl)CCOC1
InChIInChI=1S/C11H12ClNO3/c12-8-3-1-2-4-9(8)13-11(10(14)15)5-6-16-7-11/h1-4,13H,5-7H2,(H,14,15)
InChIKeyPQQXBBSPUOHUBY-UHFFFAOYSA-N
MW241.67 g/mol
LogP2.00
Rot. Bonds3

About 3-(2-chloroanilino)oxolane-3-carboxylic acid

3-(2-chloroanilino)oxolane-3-carboxylic acid (PubChem CID 63333124) has the molecular formula C11H12ClNO3 and a molecular weight of 241.67 g/mol. Its IUPAC name is 3-(2-chloroanilino)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-(2-chloroanilino)oxolane-3-carboxylic acid
PubChem CID63333124
Molecular FormulaC11H12ClNO3
Molecular Weight241.67 g/mol
Exact Mass241.05
IUPAC Name3-(2-chloroanilino)oxolane-3-carboxylic acid
SMILESO=C(O)C1(Nc2ccccc2Cl)CCOC1
InChIInChI=1S/C11H12ClNO3/c12-8-3-1-2-4-9(8)13-11(10(14)15)5-6-16-7-11/h1-4,13H,5-7H2,(H,14,15)
InChIKeyPQQXBBSPUOHUBY-UHFFFAOYSA-N
XLogP2.00
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.67
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloroanilino)cycloheptane-1-carboxylic acid
CID 60990839
4-(2-chloroanilino)thiane-4-carboxylic acid
CID 61319012
4-(2-ethylanilino)oxane-4-carboxylic acid
CID 114992560
1-(2-chloroanilino)-3,4-dimethylcyclohexane-1-carboxylic acid
CID 64745463
4-[2-(trifluoromethyl)anilino]oxane-4-carboxylic acid
CID 78969335
3-(5-chloro-2-cyanoanilino)oxolane-3-carboxylic acid
CID 64889069
4-[[2-(2-chlorophenyl)acetyl]amino]oxane-4-carboxylic acid
CID 115291582
4-[(2-chlorophenyl)methylamino]oxane-4-carboxylic acid;hydrochloride
CID 71432484
1-(2-chloroanilino)cycloheptane-1-carboxamide
CID 54892250
1-(2-chloroanilino)cyclooctane-1-carboxamide
CID 54892443
3-(4-chloro-2-nitroanilino)oxolane-3-carboxylic acid
CID 64887931
3-[(2-chloro-6-nitrobenzoyl)amino]oxolane-3-carboxylic acid
CID 64890571

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroanilino)oxolane-3-carboxylic acid?
The IUPAC name of 3-(2-chloroanilino)oxolane-3-carboxylic acid (CID 63333124) is 3-(2-chloroanilino)oxolane-3-carboxylic acid.
What is the SMILES notation for 3-(2-chloroanilino)oxolane-3-carboxylic acid?
The canonical SMILES for 3-(2-chloroanilino)oxolane-3-carboxylic acid is O=C(O)C1(Nc2ccccc2Cl)CCOC1.
What is the InChIKey of 3-(2-chloroanilino)oxolane-3-carboxylic acid?
The InChIKey is PQQXBBSPUOHUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO3/c12-8-3-1-2-4-9(8)13-11(10(14)15)5-6-16-7-11/h1-4,13H,5-7H2,(H,14,15).
What are the key properties of 3-(2-chloroanilino)oxolane-3-carboxylic acid?
3-(2-chloroanilino)oxolane-3-carboxylic acid has a molecular weight of 241.67 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroanilino)oxolane-3-carboxylic acid is sourced from PubChem (CID 63333124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).