(2S)-1-[2-(3-fluorophenoxy)propanoyl]piperidine-2-carboxylic acid

C15H18FNO4 — CID 66263133

IUPAC(2S)-1-[2-(3-fluorophenoxy)propanoyl]piperidine-2-carboxylic acid
SMILESCC(Oc1cccc(F)c1)C(=O)N1CCCC[C@H]1C(=O)O
InChIInChI=1S/C15H18FNO4/c1-10(21-12-6-4-5-11(16)9-12)14(18)17-8-3-2-7-13(17)15(19)20/h4-6,9-10,13H,2-3,7-8H2,1H3,(H,19,20)/t10?,13-/m0/s1
InChIKeyZPMCZYSLSACREO-HQVZTVAUSA-N
MW295.31 g/mol
LogP2.06
Rot. Bonds4

About (2S)-1-[2-(3-fluorophenoxy)propanoyl]piperidine-2-carboxylic acid

(2S)-1-[2-(3-fluorophenoxy)propanoyl]piperidine-2-carboxylic acid (PubChem CID 66263133) has the molecular formula C15H18FNO4 and a molecular weight of 295.31 g/mol. Its IUPAC name is (2S)-1-[2-(3-fluorophenoxy)propanoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[2-(3-fluorophenoxy)propanoyl]piperidine-2-carboxylic acid
PubChem CID66263133
Molecular FormulaC15H18FNO4
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Name(2S)-1-[2-(3-fluorophenoxy)propanoyl]piperidine-2-carboxylic acid
SMILESCC(Oc1cccc(F)c1)C(=O)N1CCCC[C@H]1C(=O)O
InChIInChI=1S/C15H18FNO4/c1-10(21-12-6-4-5-11(16)9-12)14(18)17-8-3-2-7-13(17)15(19)20/h4-6,9-10,13H,2-3,7-8H2,1H3,(H,19,20)/t10?,13-/m0/s1
InChIKeyZPMCZYSLSACREO-HQVZTVAUSA-N
XLogP2.06
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-bromophenoxy)propanoyl]piperidine-2-carboxylic acid
CID 119176168
(2S)-1-[(2S)-2-(3-methylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 92920729
N-cyclopropyl-1-[2-(3-fluorophenoxy)propanoyl]pyrrolidine-2-carboxamide
CID 86927916
(3S)-4-[(2S)-2-(3-fluorophenoxy)propanoyl]morpholine-3-carboxylic acid
CID 124513571
(2R)-1-[2-(3-acetylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 119372078
1-[2-(4-methylphenoxy)propanoyl]piperidine-2-carboxylic acid
CID 43239889
1-[2-(4-chlorophenoxy)propanoyl]piperidine-2-carboxylic acid
CID 43239854
(2S)-1-[2-(4-chloro-3-methylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 119365846
(2R)-2-(3-aminophenoxy)-1-[(2R)-2-methylpiperidin-1-yl]propan-1-one
CID 100616621
(2S)-1-[(2R)-2-(2-cyanophenoxy)propanoyl]piperidine-2-carboxylic acid
CID 95766785
(2S)-1-[(2S)-2-(2-cyanophenoxy)propanoyl]piperidine-2-carboxylic acid
CID 95766784
1-(2-phenoxybutanoyl)piperidine-2-carboxylic acid
CID 43092200

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(3-fluorophenoxy)propanoyl]piperidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[2-(3-fluorophenoxy)propanoyl]piperidine-2-carboxylic acid (CID 66263133) is (2S)-1-[2-(3-fluorophenoxy)propanoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[2-(3-fluorophenoxy)propanoyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[2-(3-fluorophenoxy)propanoyl]piperidine-2-carboxylic acid is CC(Oc1cccc(F)c1)C(=O)N1CCCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-[2-(3-fluorophenoxy)propanoyl]piperidine-2-carboxylic acid?
The InChIKey is ZPMCZYSLSACREO-HQVZTVAUSA-N. The full InChI is InChI=1S/C15H18FNO4/c1-10(21-12-6-4-5-11(16)9-12)14(18)17-8-3-2-7-13(17)15(19)20/h4-6,9-10,13H,2-3,7-8H2,1H3,(H,19,20)/t10?,13-/m0/s1.
What are the key properties of (2S)-1-[2-(3-fluorophenoxy)propanoyl]piperidine-2-carboxylic acid?
(2S)-1-[2-(3-fluorophenoxy)propanoyl]piperidine-2-carboxylic acid has a molecular weight of 295.31 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(3-fluorophenoxy)propanoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 66263133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).