4-fluoro-3-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid

C12H12FNO4 — CID 104855570

IUPAC4-fluoro-3-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid
SMILESO=C(O)c1ccc(F)c(NC(=O)[C@H]2CCCO2)c1
InChIInChI=1S/C12H12FNO4/c13-8-4-3-7(12(16)17)6-9(8)14-11(15)10-2-1-5-18-10/h3-4,6,10H,1-2,5H2,(H,14,15)(H,16,17)/t10-/m1/s1
InChIKeyMBFGSCPPYQSCMI-SNVBAGLBSA-N
MW253.23 g/mol
LogP1.64
Rot. Bonds3

About 4-fluoro-3-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid

4-fluoro-3-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid (PubChem CID 104855570) has the molecular formula C12H12FNO4 and a molecular weight of 253.23 g/mol. Its IUPAC name is 4-fluoro-3-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid.

Molecular Properties

Compound Name4-fluoro-3-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid
PubChem CID104855570
Molecular FormulaC12H12FNO4
Molecular Weight253.23 g/mol
Exact Mass253.08
IUPAC Name4-fluoro-3-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid
SMILESO=C(O)c1ccc(F)c(NC(=O)[C@H]2CCCO2)c1
InChIInChI=1S/C12H12FNO4/c13-8-4-3-7(12(16)17)6-9(8)14-11(15)10-2-1-5-18-10/h3-4,6,10H,1-2,5H2,(H,14,15)(H,16,17)/t10-/m1/s1
InChIKeyMBFGSCPPYQSCMI-SNVBAGLBSA-N
XLogP1.64
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.23
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2-fluorophenyl)oxolane-2-carboxamide
CID 110779487
3-bromo-4-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid
CID 104855724
3-methyl-4-(oxolane-2-carbonylamino)benzoic acid
CID 16774236
N-(2-fluoro-5-nitrophenyl)oxolane-2-carboxamide
CID 3283180
2-fluoro-6-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 113462407
3-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 839554
(2R)-N-(2,5-dichlorophenyl)oxolane-2-carboxamide
CID 1086830
3-[(2-aminocyclohexanecarbonyl)amino]-4-fluorobenzoic acid
CID 64823949
2-[[(2R)-oxolane-2-carbonyl]amino]-5-(trifluoromethyl)benzoic acid
CID 104855806
5-[[(2S)-oxolane-2-carbonyl]amino]benzene-1,3-dicarboxylic acid
CID 893641
N-(4-chloro-2-methylphenyl)oxolane-2-carboxamide
CID 42906730
N-(2-bromo-5-chlorophenyl)oxolane-2-carboxamide
CID 81272173

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid?
The IUPAC name of 4-fluoro-3-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid (CID 104855570) is 4-fluoro-3-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid.
What is the SMILES notation for 4-fluoro-3-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid?
The canonical SMILES for 4-fluoro-3-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid is O=C(O)c1ccc(F)c(NC(=O)[C@H]2CCCO2)c1.
What is the InChIKey of 4-fluoro-3-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid?
The InChIKey is MBFGSCPPYQSCMI-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H12FNO4/c13-8-4-3-7(12(16)17)6-9(8)14-11(15)10-2-1-5-18-10/h3-4,6,10H,1-2,5H2,(H,14,15)(H,16,17)/t10-/m1/s1.
What are the key properties of 4-fluoro-3-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid?
4-fluoro-3-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid has a molecular weight of 253.23 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid is sourced from PubChem (CID 104855570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).