(2R,5S)-5-[[(1S)-1-(4-fluorophenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid

C14H16FNO4 — CID 102945486

IUPAC(2R,5S)-5-[[(1S)-1-(4-fluorophenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid
SMILESC[C@H](NC(=O)[C@@H]1CC[C@H](C(=O)O)O1)c1ccc(F)cc1
InChIInChI=1S/C14H16FNO4/c1-8(9-2-4-10(15)5-3-9)16-13(17)11-6-7-12(20-11)14(18)19/h2-5,8,11-12H,6-7H2,1H3,(H,16,17)(H,18,19)/t8-,11-,12+/m0/s1
InChIKeyCWTDITQRPOFQOR-KPXOXKRLSA-N
MW281.28 g/mol
LogP1.64
Rot. Bonds4

About (2R,5S)-5-[[(1S)-1-(4-fluorophenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid

(2R,5S)-5-[[(1S)-1-(4-fluorophenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid (PubChem CID 102945486) has the molecular formula C14H16FNO4 and a molecular weight of 281.28 g/mol. Its IUPAC name is (2R,5S)-5-[[(1S)-1-(4-fluorophenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-[[(1S)-1-(4-fluorophenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid
PubChem CID102945486
Molecular FormulaC14H16FNO4
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name(2R,5S)-5-[[(1S)-1-(4-fluorophenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid
SMILESC[C@H](NC(=O)[C@@H]1CC[C@H](C(=O)O)O1)c1ccc(F)cc1
InChIInChI=1S/C14H16FNO4/c1-8(9-2-4-10(15)5-3-9)16-13(17)11-6-7-12(20-11)14(18)19/h2-5,8,11-12H,6-7H2,1H3,(H,16,17)(H,18,19)/t8-,11-,12+/m0/s1
InChIKeyCWTDITQRPOFQOR-KPXOXKRLSA-N
XLogP1.64
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,5S)-5-[1-(4-methylphenyl)ethylcarbamoyl]oxolane-2-carboxylic acid
CID 102944580
5-[[(1S)-1-(4-methoxyphenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid
CID 102688760
N-[1-(4-fluorophenyl)ethyl]cyclohexanecarboxamide
CID 46763137
(2R,5S)-5-[[(1S)-1-(3-methoxyphenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid
CID 102945502
5-[[(1R)-1-(3-methoxyphenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid
CID 102688768
3-[1-(4-fluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783147
5-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]oxolane-2-carboxylic acid
CID 102688785
6-[[(1S)-1-(4-fluorophenyl)ethyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 81351475
N-[(1S)-1-(4-fluorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 81350122
(2R,5S)-5-[(4-propan-2-ylphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102944341
[4-[1-(4-fluorophenyl)ethylcarbamoyl]cyclohexyl]carbamic acid
CID 67223877
(3R)-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 81139962

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[[(1S)-1-(4-fluorophenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-[[(1S)-1-(4-fluorophenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid (CID 102945486) is (2R,5S)-5-[[(1S)-1-(4-fluorophenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-[[(1S)-1-(4-fluorophenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-[[(1S)-1-(4-fluorophenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid is C[C@H](NC(=O)[C@@H]1CC[C@H](C(=O)O)O1)c1ccc(F)cc1.
What is the InChIKey of (2R,5S)-5-[[(1S)-1-(4-fluorophenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid?
The InChIKey is CWTDITQRPOFQOR-KPXOXKRLSA-N. The full InChI is InChI=1S/C14H16FNO4/c1-8(9-2-4-10(15)5-3-9)16-13(17)11-6-7-12(20-11)14(18)19/h2-5,8,11-12H,6-7H2,1H3,(H,16,17)(H,18,19)/t8-,11-,12+/m0/s1.
What are the key properties of (2R,5S)-5-[[(1S)-1-(4-fluorophenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid?
(2R,5S)-5-[[(1S)-1-(4-fluorophenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid has a molecular weight of 281.28 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-[[(1S)-1-(4-fluorophenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102945486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).