(2S)-1-[2-(2-phenylethylamino)acetyl]piperidine-2-carboxylic acid

C16H22N2O3 — CID 22958470

IUPAC(2S)-1-[2-(2-phenylethylamino)acetyl]piperidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCCN1C(=O)CNCCc1ccccc1
InChIInChI=1S/C16H22N2O3/c19-15(18-11-5-4-8-14(18)16(20)21)12-17-10-9-13-6-2-1-3-7-13/h1-3,6-7,14,17H,4-5,8-12H2,(H,20,21)/t14-/m0/s1
InChIKeyLQPDZSKYJLLOBT-AWEZNQCLSA-N
MW290.36 g/mol
LogP1.28
Rot. Bonds6

About (2S)-1-[2-(2-phenylethylamino)acetyl]piperidine-2-carboxylic acid

(2S)-1-[2-(2-phenylethylamino)acetyl]piperidine-2-carboxylic acid (PubChem CID 22958470) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is (2S)-1-[2-(2-phenylethylamino)acetyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[2-(2-phenylethylamino)acetyl]piperidine-2-carboxylic acid
PubChem CID22958470
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name(2S)-1-[2-(2-phenylethylamino)acetyl]piperidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCCN1C(=O)CNCCc1ccccc1
InChIInChI=1S/C16H22N2O3/c19-15(18-11-5-4-8-14(18)16(20)21)12-17-10-9-13-6-2-1-3-7-13/h1-3,6-7,14,17H,4-5,8-12H2,(H,20,21)/t14-/m0/s1
InChIKeyLQPDZSKYJLLOBT-AWEZNQCLSA-N
XLogP1.28
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-(4-phenylbutanoyl)piperidine-2-carboxylic acid
CID 15080754
(2S)-1-(2-phenylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 28509967
1-[2-(2-phenylethoxy)acetyl]piperidine-2-carboxylic acid
CID 119176089
(2S)-1-[3-(2-phenylethyldisulfanyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 54508077
1-[2-(4-phenylbutan-2-ylamino)propanoyl]piperidine-2-carboxylic acid
CID 58641902
(2S)-1-[2-[[(2R)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]acetyl]pyrrolidine-2-carboxylic acid
CID 58153722
(2S)-1-[(2S)-2-amino-4-phenylbutanoyl]piperidine-2-carboxylic acid
CID 104984557
1-(3-pyridin-4-ylpropanoyl)piperidine-2-carboxylic acid
CID 110835597
1-(3-methyl-3-phenylbutanoyl)piperidine-2-carboxylic acid
CID 119176322
1-[3-(4-fluorophenyl)propanoyl]piperidine-2-carboxylic acid
CID 43241961
1-[2-[(2-phenoxyacetyl)amino]acetyl]pyrrolidine-2-carboxylic acid
CID 119356620
(2S)-1-[2-(2-methoxyethylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 79281055

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(2-phenylethylamino)acetyl]piperidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[2-(2-phenylethylamino)acetyl]piperidine-2-carboxylic acid (CID 22958470) is (2S)-1-[2-(2-phenylethylamino)acetyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[2-(2-phenylethylamino)acetyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[2-(2-phenylethylamino)acetyl]piperidine-2-carboxylic acid is O=C(O)[C@@H]1CCCCN1C(=O)CNCCc1ccccc1.
What is the InChIKey of (2S)-1-[2-(2-phenylethylamino)acetyl]piperidine-2-carboxylic acid?
The InChIKey is LQPDZSKYJLLOBT-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22N2O3/c19-15(18-11-5-4-8-14(18)16(20)21)12-17-10-9-13-6-2-1-3-7-13/h1-3,6-7,14,17H,4-5,8-12H2,(H,20,21)/t14-/m0/s1.
What are the key properties of (2S)-1-[2-(2-phenylethylamino)acetyl]piperidine-2-carboxylic acid?
(2S)-1-[2-(2-phenylethylamino)acetyl]piperidine-2-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(2-phenylethylamino)acetyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 22958470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).