(2S)-1-[(2S)-2-amino-4-phenylbutanoyl]piperidine-2-carboxylic acid

C16H22N2O3 — CID 104984557

IUPAC(2S)-1-[(2S)-2-amino-4-phenylbutanoyl]piperidine-2-carboxylic acid
SMILESN[C@@H](CCc1ccccc1)C(=O)N1CCCC[C@H]1C(=O)O
InChIInChI=1S/C16H22N2O3/c17-13(10-9-12-6-2-1-3-7-12)15(19)18-11-5-4-8-14(18)16(20)21/h1-3,6-7,13-14H,4-5,8-11,17H2,(H,20,21)/t13-,14-/m0/s1
InChIKeyOENYGGHIXNTZNU-KBPBESRZSA-N
MW290.36 g/mol
LogP1.41
Rot. Bonds5

About (2S)-1-[(2S)-2-amino-4-phenylbutanoyl]piperidine-2-carboxylic acid

(2S)-1-[(2S)-2-amino-4-phenylbutanoyl]piperidine-2-carboxylic acid (PubChem CID 104984557) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-amino-4-phenylbutanoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-amino-4-phenylbutanoyl]piperidine-2-carboxylic acid
PubChem CID104984557
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name(2S)-1-[(2S)-2-amino-4-phenylbutanoyl]piperidine-2-carboxylic acid
SMILESN[C@@H](CCc1ccccc1)C(=O)N1CCCC[C@H]1C(=O)O
InChIInChI=1S/C16H22N2O3/c17-13(10-9-12-6-2-1-3-7-12)15(19)18-11-5-4-8-14(18)16(20)21/h1-3,6-7,13-14H,4-5,8-11,17H2,(H,20,21)/t13-,14-/m0/s1
InChIKeyOENYGGHIXNTZNU-KBPBESRZSA-N
XLogP1.41
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[(2S)-2,5-diamino-6-oxo-6-phenylmethoxyhexanoyl]pyrrolidine-2-carboxylic acid
CID 149437590
(2S,4R)-1-(2-amino-4-phenylbutanoyl)-4-cyclohexylpyrrolidine-2-carboxylic acid
CID 175083881
1-[2-(4-phenylbutan-2-ylamino)propanoyl]piperidine-2-carboxylic acid
CID 58641902
(2S)-2-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-phenylbutan-1-one
CID 107217869
(2S)-2-amino-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-phenylbutan-1-one
CID 107218083
(4R)-3-(2-amino-4-phenylbutanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 104984151
(2S,4R)-1-(2-amino-4-phenylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 104984416
(4R)-3-[(2S)-2-amino-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 104984152
1-[(2S)-2-amino-4-phenylbutanoyl]piperidine-4-carboxylic acid
CID 104984119
1-(2-amino-4-carboxybutanoyl)azepane-2-carboxylic acid
CID 64889557
(2R)-1-[(2S)-2-[[(2S)-2-amino-4-carboxybutanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carboxylic acid
CID 145455469
(2S)-1-(4-phenylbutanoyl)piperidine-2-carboxylic acid
CID 15080754

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-amino-4-phenylbutanoyl]piperidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[(2S)-2-amino-4-phenylbutanoyl]piperidine-2-carboxylic acid (CID 104984557) is (2S)-1-[(2S)-2-amino-4-phenylbutanoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[(2S)-2-amino-4-phenylbutanoyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[(2S)-2-amino-4-phenylbutanoyl]piperidine-2-carboxylic acid is N[C@@H](CCc1ccccc1)C(=O)N1CCCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-[(2S)-2-amino-4-phenylbutanoyl]piperidine-2-carboxylic acid?
The InChIKey is OENYGGHIXNTZNU-KBPBESRZSA-N. The full InChI is InChI=1S/C16H22N2O3/c17-13(10-9-12-6-2-1-3-7-12)15(19)18-11-5-4-8-14(18)16(20)21/h1-3,6-7,13-14H,4-5,8-11,17H2,(H,20,21)/t13-,14-/m0/s1.
What are the key properties of (2S)-1-[(2S)-2-amino-4-phenylbutanoyl]piperidine-2-carboxylic acid?
(2S)-1-[(2S)-2-amino-4-phenylbutanoyl]piperidine-2-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-2-amino-4-phenylbutanoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 104984557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).