1-(3-amino-2-phenylpropanoyl)-2-methylpiperidine-2-carboxylic acid

C16H22N2O3 — CID 104597324

IUPAC1-(3-amino-2-phenylpropanoyl)-2-methylpiperidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCCN1C(=O)C(CN)c1ccccc1
InChIInChI=1S/C16H22N2O3/c1-16(15(20)21)9-5-6-10-18(16)14(19)13(11-17)12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-11,17H2,1H3,(H,20,21)
InChIKeyNFUXRVXCVBBFEM-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.58
Rot. Bonds4

About 1-(3-amino-2-phenylpropanoyl)-2-methylpiperidine-2-carboxylic acid

1-(3-amino-2-phenylpropanoyl)-2-methylpiperidine-2-carboxylic acid (PubChem CID 104597324) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-(3-amino-2-phenylpropanoyl)-2-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-amino-2-phenylpropanoyl)-2-methylpiperidine-2-carboxylic acid
PubChem CID104597324
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-(3-amino-2-phenylpropanoyl)-2-methylpiperidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCCN1C(=O)C(CN)c1ccccc1
InChIInChI=1S/C16H22N2O3/c1-16(15(20)21)9-5-6-10-18(16)14(19)13(11-17)12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-11,17H2,1H3,(H,20,21)
InChIKeyNFUXRVXCVBBFEM-UHFFFAOYSA-N
XLogP1.58
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(4,4-dimethylpiperidin-1-yl)-2-phenylpropan-1-one
CID 62937432
1-(2-aminopropanoyl)-2-methylpiperidine-2-carboxylic acid
CID 104597343
1-[2-(2-chlorophenyl)sulfanylacetyl]-2-methylpiperidine-2-carboxylic acid
CID 104595208
2-methyl-1-(1-phenylbutyl)piperidine-2-carboxylic acid
CID 104599033
1-(2,2-difluoroacetyl)-2-methylpiperidine-2-carboxylic acid
CID 103513470
1-(2-anilinoacetyl)-2-methylpiperidine-2-carboxylic acid
CID 104597298
(2S)-3-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylpropan-1-one
CID 94888789
1-(1,3-dihydroisoindole-2-carbonyl)-2-methylpiperidine-2-carboxylic acid
CID 104598178
2-methyl-1-(3-phenylprop-2-ynoyl)piperidine-2-carboxylic acid
CID 104595377
3-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylpropan-1-one;hydrochloride
CID 86777183
2-methyl-1-(5-oxo-5-phenylpentanoyl)piperidine-2-carboxylic acid
CID 91839356
1-(2-methoxypropanoyl)-2-methylpiperidine-2-carboxylic acid
CID 104595518

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-phenylpropanoyl)-2-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(3-amino-2-phenylpropanoyl)-2-methylpiperidine-2-carboxylic acid (CID 104597324) is 1-(3-amino-2-phenylpropanoyl)-2-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-amino-2-phenylpropanoyl)-2-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(3-amino-2-phenylpropanoyl)-2-methylpiperidine-2-carboxylic acid is CC1(C(=O)O)CCCCN1C(=O)C(CN)c1ccccc1.
What is the InChIKey of 1-(3-amino-2-phenylpropanoyl)-2-methylpiperidine-2-carboxylic acid?
The InChIKey is NFUXRVXCVBBFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-16(15(20)21)9-5-6-10-18(16)14(19)13(11-17)12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-11,17H2,1H3,(H,20,21).
What are the key properties of 1-(3-amino-2-phenylpropanoyl)-2-methylpiperidine-2-carboxylic acid?
1-(3-amino-2-phenylpropanoyl)-2-methylpiperidine-2-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-phenylpropanoyl)-2-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 104597324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).