3-phenylpropyl (2R)-2-amino-5-oxo-5-piperidin-1-ylpentanoate

C19H28N2O3 — CID 91148922

IUPAC3-phenylpropyl (2R)-2-amino-5-oxo-5-piperidin-1-ylpentanoate
SMILESN[C@H](CCC(=O)N1CCCCC1)C(=O)OCCCc1ccccc1
InChIInChI=1S/C19H28N2O3/c20-17(11-12-18(22)21-13-5-2-6-14-21)19(23)24-15-7-10-16-8-3-1-4-9-16/h1,3-4,8-9,17H,2,5-7,10-15,20H2/t17-/m1/s1
InChIKeyLDSKCOITGPZBHD-QGZVFWFLSA-N
MW332.44 g/mol
LogP2.28
Rot. Bonds8

About 3-phenylpropyl (2R)-2-amino-5-oxo-5-piperidin-1-ylpentanoate

3-phenylpropyl (2R)-2-amino-5-oxo-5-piperidin-1-ylpentanoate (PubChem CID 91148922) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 3-phenylpropyl (2R)-2-amino-5-oxo-5-piperidin-1-ylpentanoate.

Molecular Properties

Compound Name3-phenylpropyl (2R)-2-amino-5-oxo-5-piperidin-1-ylpentanoate
PubChem CID91148922
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name3-phenylpropyl (2R)-2-amino-5-oxo-5-piperidin-1-ylpentanoate
SMILESN[C@H](CCC(=O)N1CCCCC1)C(=O)OCCCc1ccccc1
InChIInChI=1S/C19H28N2O3/c20-17(11-12-18(22)21-13-5-2-6-14-21)19(23)24-15-7-10-16-8-3-1-4-9-16/h1,3-4,8-9,17H,2,5-7,10-15,20H2/t17-/m1/s1
InChIKeyLDSKCOITGPZBHD-QGZVFWFLSA-N
XLogP2.28
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

11-phenyl-1-pyrrolidin-1-ylundecan-1-one
CID 10805309
4-(2-phenylethoxy)-1-pyrrolidin-1-ylbutan-1-one
CID 87010718
1-(azepan-1-yl)-3-(3-phenylpropylamino)propan-1-one
CID 109030919
benzyl (2S)-2-amino-5-[(3S,4R)-3,4-diaminopyrrolidin-1-yl]-5-oxopentanoate
CID 70890702
1-(azocan-1-yl)-3-methyl-5-phenylpentan-1-one
CID 71882918
1-(4-phenylbutanoyl)piperidine-3-carboxylic acid
CID 43119516
3-[3-(4-chlorophenyl)propoxy]-1-piperidin-1-ylpropan-1-one
CID 163323866
5-(4-phenylbutanoyl)-1,5-diazacycloundecan-2-one
CID 110201364
2-amino-1-[4-(4-phenylbutanoyl)piperazin-1-yl]pentan-1-one;hydrochloride
CID 119312366
(3S)-1-[4-(2-phenylethoxy)butanoyl]piperidine-3-carboxamide
CID 95382682
2-(3-phenylpropylamino)-1-pyrrolidin-1-ylethanone
CID 60672286
3-methoxypropyl (2S)-2-amino-4-phenylbutanoate
CID 104983520

Frequently Asked Questions

What is the IUPAC name of 3-phenylpropyl (2R)-2-amino-5-oxo-5-piperidin-1-ylpentanoate?
The IUPAC name of 3-phenylpropyl (2R)-2-amino-5-oxo-5-piperidin-1-ylpentanoate (CID 91148922) is 3-phenylpropyl (2R)-2-amino-5-oxo-5-piperidin-1-ylpentanoate.
What is the SMILES notation for 3-phenylpropyl (2R)-2-amino-5-oxo-5-piperidin-1-ylpentanoate?
The canonical SMILES for 3-phenylpropyl (2R)-2-amino-5-oxo-5-piperidin-1-ylpentanoate is N[C@H](CCC(=O)N1CCCCC1)C(=O)OCCCc1ccccc1.
What is the InChIKey of 3-phenylpropyl (2R)-2-amino-5-oxo-5-piperidin-1-ylpentanoate?
The InChIKey is LDSKCOITGPZBHD-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H28N2O3/c20-17(11-12-18(22)21-13-5-2-6-14-21)19(23)24-15-7-10-16-8-3-1-4-9-16/h1,3-4,8-9,17H,2,5-7,10-15,20H2/t17-/m1/s1.
What are the key properties of 3-phenylpropyl (2R)-2-amino-5-oxo-5-piperidin-1-ylpentanoate?
3-phenylpropyl (2R)-2-amino-5-oxo-5-piperidin-1-ylpentanoate has a molecular weight of 332.44 g/mol, XLogP of 2.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylpropyl (2R)-2-amino-5-oxo-5-piperidin-1-ylpentanoate is sourced from PubChem (CID 91148922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).