(2R,5S)-5-fluoro-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid

C14H16FNO4 — CID 178194232

IUPAC(2R,5S)-5-fluoro-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CC[C@H](F)CN1C(=O)OCc1ccccc1
InChIInChI=1S/C14H16FNO4/c15-11-6-7-12(13(17)18)16(8-11)14(19)20-9-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H,17,18)/t11-,12+/m0/s1
InChIKeyDOCUQCAFPVAXBO-NWDGAFQWSA-N
MW281.28 g/mol
LogP2.21
Rot. Bonds3

About (2R,5S)-5-fluoro-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid

(2R,5S)-5-fluoro-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid (PubChem CID 178194232) has the molecular formula C14H16FNO4 and a molecular weight of 281.28 g/mol. Its IUPAC name is (2R,5S)-5-fluoro-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-fluoro-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid
PubChem CID178194232
Molecular FormulaC14H16FNO4
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name(2R,5S)-5-fluoro-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CC[C@H](F)CN1C(=O)OCc1ccccc1
InChIInChI=1S/C14H16FNO4/c15-11-6-7-12(13(17)18)16(8-11)14(19)20-9-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H,17,18)/t11-,12+/m0/s1
InChIKeyDOCUQCAFPVAXBO-NWDGAFQWSA-N
XLogP2.21
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 2-cyano-5-fluoropiperidine-1-carboxylate
CID 83855025
(2R,4S)-1-phenylmethoxycarbonylpyrrolidine-2,4-dicarboxylic acid
CID 18391508
(2S,4S)-4-amino-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146013325
1-O-benzyl 2-O-methyl 5-hydroxypiperidine-1,2-dicarboxylate
CID 14081061
cyclohexanamine;4-hydroxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 126475877
(2S,4R)-1-phenylmethoxycarbonyl-4-propylpyrrolidine-2-carboxylic acid
CID 22802136
1-[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]azetidine-2-carboxylic acid
CID 14499798
4-ethyl-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid
CID 45043186
(2R,4S)-4-acetyloxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 18391514
(2S)-1-(2-phenylmethoxycarbonyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 22880793
(2R)-4-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 34176386
(4S)-3-phenylmethoxycarbonyl-1,3-oxazolidine-4-carboxylic acid
CID 688328

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-fluoro-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-fluoro-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid (CID 178194232) is (2R,5S)-5-fluoro-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-fluoro-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-fluoro-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid is O=C(O)[C@H]1CC[C@H](F)CN1C(=O)OCc1ccccc1.
What is the InChIKey of (2R,5S)-5-fluoro-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid?
The InChIKey is DOCUQCAFPVAXBO-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H16FNO4/c15-11-6-7-12(13(17)18)16(8-11)14(19)20-9-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H,17,18)/t11-,12+/m0/s1.
What are the key properties of (2R,5S)-5-fluoro-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid?
(2R,5S)-5-fluoro-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid has a molecular weight of 281.28 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-fluoro-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid is sourced from PubChem (CID 178194232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).