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

C17H23NO4 — CID 124683442

IUPAC(2S)-1-[3-(2-ethoxyphenyl)propanoyl]piperidine-2-carboxylic acid
SMILESCCOc1ccccc1CCC(=O)N1CCCC[C@H]1C(=O)O
InChIInChI=1S/C17H23NO4/c1-2-22-15-9-4-3-7-13(15)10-11-16(19)18-12-6-5-8-14(18)17(20)21/h3-4,7,9,14H,2,5-6,8,10-12H2,1H3,(H,20,21)/t14-/m0/s1
InChIKeyXDISIENOEZOOGF-AWEZNQCLSA-N
MW305.37 g/mol
LogP2.48
Rot. Bonds6

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

(2S)-1-[3-(2-ethoxyphenyl)propanoyl]piperidine-2-carboxylic acid (PubChem CID 124683442) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is (2S)-1-[3-(2-ethoxyphenyl)propanoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[3-(2-ethoxyphenyl)propanoyl]piperidine-2-carboxylic acid
PubChem CID124683442
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name(2S)-1-[3-(2-ethoxyphenyl)propanoyl]piperidine-2-carboxylic acid
SMILESCCOc1ccccc1CCC(=O)N1CCCC[C@H]1C(=O)O
InChIInChI=1S/C17H23NO4/c1-2-22-15-9-4-3-7-13(15)10-11-16(19)18-12-6-5-8-14(18)17(20)21/h3-4,7,9,14H,2,5-6,8,10-12H2,1H3,(H,20,21)/t14-/m0/s1
InChIKeyXDISIENOEZOOGF-AWEZNQCLSA-N
XLogP2.48
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-ethoxyphenyl)-1-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 43421333
(2R)-1-[3-(2-chlorophenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 55151521
(2R)-1-[2-(2-methoxyphenyl)acetyl]piperidine-2-carboxylic acid
CID 79034352
(2R)-1-[3-(2-methylphenoxy)propanoyl]piperidine-2-carboxylic acid
CID 79035276
(2R)-1-(2-ethoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 28819596
2-(2-ethoxyphenyl)-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 134503396
(2R)-1-[(3S)-3-acetamido-3-(2-ethoxyphenyl)propanoyl]piperidine-2-carboxylic acid
CID 129467398
(2S)-1-[3-(2,6-difluorophenyl)propanoyl]piperidine-2-carboxylic acid
CID 99623401
1-(4-acetyl-1,4-diazepan-1-yl)-3-(2-ethoxyphenyl)propan-1-one
CID 134061684
(2S)-1-(4-phenylbutanoyl)piperidine-2-carboxylic acid
CID 15080754
(2R)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-2-carboxylic acid
CID 92650290
1-(3-phenoxypropanoyl)azepane-2-carboxylic acid
CID 64559753

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[3-(2-ethoxyphenyl)propanoyl]piperidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[3-(2-ethoxyphenyl)propanoyl]piperidine-2-carboxylic acid (CID 124683442) is (2S)-1-[3-(2-ethoxyphenyl)propanoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[3-(2-ethoxyphenyl)propanoyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[3-(2-ethoxyphenyl)propanoyl]piperidine-2-carboxylic acid is CCOc1ccccc1CCC(=O)N1CCCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-[3-(2-ethoxyphenyl)propanoyl]piperidine-2-carboxylic acid?
The InChIKey is XDISIENOEZOOGF-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23NO4/c1-2-22-15-9-4-3-7-13(15)10-11-16(19)18-12-6-5-8-14(18)17(20)21/h3-4,7,9,14H,2,5-6,8,10-12H2,1H3,(H,20,21)/t14-/m0/s1.
What are the key properties of (2S)-1-[3-(2-ethoxyphenyl)propanoyl]piperidine-2-carboxylic acid?
(2S)-1-[3-(2-ethoxyphenyl)propanoyl]piperidine-2-carboxylic acid has a molecular weight of 305.37 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[3-(2-ethoxyphenyl)propanoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 124683442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).