1-[2-(4-phenylbutan-2-ylamino)propanoyl]piperidine-2-carboxylic acid

C19H28N2O3 — CID 58641902

IUPAC1-[2-(4-phenylbutan-2-ylamino)propanoyl]piperidine-2-carboxylic acid
SMILESCC(CCc1ccccc1)NC(C)C(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C19H28N2O3/c1-14(11-12-16-8-4-3-5-9-16)20-15(2)18(22)21-13-7-6-10-17(21)19(23)24/h3-5,8-9,14-15,17,20H,6-7,10-13H2,1-2H3,(H,23,24)
InChIKeyFWPDLAPOYFCFGB-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.45
Rot. Bonds7

About 1-[2-(4-phenylbutan-2-ylamino)propanoyl]piperidine-2-carboxylic acid

1-[2-(4-phenylbutan-2-ylamino)propanoyl]piperidine-2-carboxylic acid (PubChem CID 58641902) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 1-[2-(4-phenylbutan-2-ylamino)propanoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-phenylbutan-2-ylamino)propanoyl]piperidine-2-carboxylic acid
PubChem CID58641902
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name1-[2-(4-phenylbutan-2-ylamino)propanoyl]piperidine-2-carboxylic acid
SMILESCC(CCc1ccccc1)NC(C)C(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C19H28N2O3/c1-14(11-12-16-8-4-3-5-9-16)20-15(2)18(22)21-13-7-6-10-17(21)19(23)24/h3-5,8-9,14-15,17,20H,6-7,10-13H2,1-2H3,(H,23,24)
InChIKeyFWPDLAPOYFCFGB-UHFFFAOYSA-N
XLogP2.45
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 67395242
1-[(2S)-2-[[(2R)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 171156710
(2S)-1-[(2S)-2-amino-4-phenylbutanoyl]piperidine-2-carboxylic acid
CID 104984557
1-[6-amino-2-(4-phenylbutan-2-ylamino)hexanoyl]pyrrolidine-2-carboxylic acid;methanol
CID 143094632
1-[2-[[hydroxy(2-phenylethyl)phosphoryl]amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 14212863
(6S)-5-[(2S)-2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]-1,5-oxazecane-6-carboxylic acid
CID 67852387
(2S)-1-[(2S)-2-(3-phenylpropanoylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 54268836
(Z)-but-2-enedioic acid;bis((2S)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid)
CID 66649424
(Z)-but-2-enedioic acid;(2S)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 5388961
(Z)-but-2-enedioic acid;(2S)-1-[(2S)-2-[[(2S)-1-oxo-4-phenyl-1-(2-phenylethoxy)butan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 175673964
1-[2-(4-phenylbutan-2-ylamino)propanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid
CID 70341145
methyl (2S)-1-[(2S)-2-[(1-methoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]pyrrolidine-2-carboxylate
CID 70538193

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-phenylbutan-2-ylamino)propanoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[2-(4-phenylbutan-2-ylamino)propanoyl]piperidine-2-carboxylic acid (CID 58641902) is 1-[2-(4-phenylbutan-2-ylamino)propanoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(4-phenylbutan-2-ylamino)propanoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(4-phenylbutan-2-ylamino)propanoyl]piperidine-2-carboxylic acid is CC(CCc1ccccc1)NC(C)C(=O)N1CCCCC1C(=O)O.
What is the InChIKey of 1-[2-(4-phenylbutan-2-ylamino)propanoyl]piperidine-2-carboxylic acid?
The InChIKey is FWPDLAPOYFCFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-14(11-12-16-8-4-3-5-9-16)20-15(2)18(22)21-13-7-6-10-17(21)19(23)24/h3-5,8-9,14-15,17,20H,6-7,10-13H2,1-2H3,(H,23,24).
What are the key properties of 1-[2-(4-phenylbutan-2-ylamino)propanoyl]piperidine-2-carboxylic acid?
1-[2-(4-phenylbutan-2-ylamino)propanoyl]piperidine-2-carboxylic acid has a molecular weight of 332.44 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-phenylbutan-2-ylamino)propanoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 58641902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).