(2R,5S)-5-[(4-fluoro-2-methoxyphenyl)carbamoyl]oxolane-2-carboxylic acid

C13H14FNO5 — CID 102945091

IUPAC(2R,5S)-5-[(4-fluoro-2-methoxyphenyl)carbamoyl]oxolane-2-carboxylic acid
SMILESCOc1cc(F)ccc1NC(=O)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C13H14FNO5/c1-19-11-6-7(14)2-3-8(11)15-12(16)9-4-5-10(20-9)13(17)18/h2-3,6,9-10H,4-5H2,1H3,(H,15,16)(H,17,18)/t9-,10+/m0/s1
InChIKeyQEBVEFLOFGBHRK-VHSXEESVSA-N
MW283.25 g/mol
LogP1.40
Rot. Bonds4

About (2R,5S)-5-[(4-fluoro-2-methoxyphenyl)carbamoyl]oxolane-2-carboxylic acid

(2R,5S)-5-[(4-fluoro-2-methoxyphenyl)carbamoyl]oxolane-2-carboxylic acid (PubChem CID 102945091) has the molecular formula C13H14FNO5 and a molecular weight of 283.25 g/mol. Its IUPAC name is (2R,5S)-5-[(4-fluoro-2-methoxyphenyl)carbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-[(4-fluoro-2-methoxyphenyl)carbamoyl]oxolane-2-carboxylic acid
PubChem CID102945091
Molecular FormulaC13H14FNO5
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC Name(2R,5S)-5-[(4-fluoro-2-methoxyphenyl)carbamoyl]oxolane-2-carboxylic acid
SMILESCOc1cc(F)ccc1NC(=O)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C13H14FNO5/c1-19-11-6-7(14)2-3-8(11)15-12(16)9-4-5-10(20-9)13(17)18/h2-3,6,9-10H,4-5H2,1H3,(H,15,16)(H,17,18)/t9-,10+/m0/s1
InChIKeyQEBVEFLOFGBHRK-VHSXEESVSA-N
XLogP1.40
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-fluoro-2-methylphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102687633
(2S,5R)-5-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)oxolane-2-carboxamide
CID 120786966
(2S)-N-(4-fluoro-2-methoxyphenyl)oxolane-2-carboxamide
CID 32608102
5-[(2-ethoxy-4-methylphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102687855
1-cyclohexyl-3-(4-fluoro-2-methoxyphenyl)urea
CID 47202448
(2R,5S)-5-[(3-bromo-4-methoxyphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945371
(2R,5S)-5-[(4-bromo-3-methoxyphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945585
N-(4-fluoro-2-methoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 47024485
4-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)cyclohexane-1-carboxamide
CID 79526534
3-(4-fluoro-2-methoxyanilino)-3-oxopropanoic acid
CID 62232302
cis-(1R,2S)-N-(4-fluoro-2-methoxyphenyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 32611358
(2R,5S)-5-[(4-bromo-2-ethylphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945483

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[(4-fluoro-2-methoxyphenyl)carbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-[(4-fluoro-2-methoxyphenyl)carbamoyl]oxolane-2-carboxylic acid (CID 102945091) is (2R,5S)-5-[(4-fluoro-2-methoxyphenyl)carbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-[(4-fluoro-2-methoxyphenyl)carbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-[(4-fluoro-2-methoxyphenyl)carbamoyl]oxolane-2-carboxylic acid is COc1cc(F)ccc1NC(=O)[C@@H]1CC[C@H](C(=O)O)O1.
What is the InChIKey of (2R,5S)-5-[(4-fluoro-2-methoxyphenyl)carbamoyl]oxolane-2-carboxylic acid?
The InChIKey is QEBVEFLOFGBHRK-VHSXEESVSA-N. The full InChI is InChI=1S/C13H14FNO5/c1-19-11-6-7(14)2-3-8(11)15-12(16)9-4-5-10(20-9)13(17)18/h2-3,6,9-10H,4-5H2,1H3,(H,15,16)(H,17,18)/t9-,10+/m0/s1.
What are the key properties of (2R,5S)-5-[(4-fluoro-2-methoxyphenyl)carbamoyl]oxolane-2-carboxylic acid?
(2R,5S)-5-[(4-fluoro-2-methoxyphenyl)carbamoyl]oxolane-2-carboxylic acid has a molecular weight of 283.25 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-[(4-fluoro-2-methoxyphenyl)carbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102945091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).