1-[(2S)-2-amino-3-phenylpropanoyl]-3-methylpiperidine-3-carboxylic acid

C16H22N2O3 — CID 63134188

IUPAC1-[(2S)-2-amino-3-phenylpropanoyl]-3-methylpiperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(C(=O)[C@@H](N)Cc2ccccc2)C1
InChIInChI=1S/C16H22N2O3/c1-16(15(20)21)8-5-9-18(11-16)14(19)13(17)10-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11,17H2,1H3,(H,20,21)/t13-,16?/m0/s1
InChIKeyUZZGOYVMDHSQCA-KNVGNIICSA-N
MW290.36 g/mol
LogP1.27
Rot. Bonds4

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

1-[(2S)-2-amino-3-phenylpropanoyl]-3-methylpiperidine-3-carboxylic acid (PubChem CID 63134188) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-[(2S)-2-amino-3-phenylpropanoyl]-3-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2S)-2-amino-3-phenylpropanoyl]-3-methylpiperidine-3-carboxylic acid
PubChem CID63134188
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-[(2S)-2-amino-3-phenylpropanoyl]-3-methylpiperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(C(=O)[C@@H](N)Cc2ccccc2)C1
InChIInChI=1S/C16H22N2O3/c1-16(15(20)21)8-5-9-18(11-16)14(19)13(17)10-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11,17H2,1H3,(H,20,21)/t13-,16?/m0/s1
InChIKeyUZZGOYVMDHSQCA-KNVGNIICSA-N
XLogP1.27
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 ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(3,3-dimethylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119295543
(2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-3-phenylpropan-1-one;hydrochloride
CID 119294272
(2S)-2-amino-1-(3,3-dimethylpiperidin-1-yl)-4-phenylbutan-1-one
CID 104984439
3-methyl-1-(2-phenylmethoxyacetyl)piperidine-3-carboxylic acid
CID 63133590
(2S)-2-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 2087046
1-(2-benzamido-3-phenylpropanoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 119256449
1-(3-hydroxy-3-methylpiperidin-1-yl)-3-phenyl-2-sulfanylpropan-1-one
CID 107036046
(2R)-2-amino-1-[(2R)-2-methyl-1,4-oxazepan-4-yl]-3-phenylpropan-1-one
CID 94907209
(2R)-2-amino-1-(1,4-diazepan-1-yl)-3-phenylpropan-1-one
CID 78985520
1-(3-amino-2-methoxypropanoyl)-3-methylpiperidine-3-carboxylic acid
CID 114145091
1-(2-ethylbutanoyl)-3-methylpiperidine-3-carboxylic acid
CID 63133956
4-(2-amino-3-phenylpropanoyl)-1-methyl-1,4-diazepan-2-one
CID 102888989

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-amino-3-phenylpropanoyl]-3-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[(2S)-2-amino-3-phenylpropanoyl]-3-methylpiperidine-3-carboxylic acid (CID 63134188) is 1-[(2S)-2-amino-3-phenylpropanoyl]-3-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2S)-2-amino-3-phenylpropanoyl]-3-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[(2S)-2-amino-3-phenylpropanoyl]-3-methylpiperidine-3-carboxylic acid is CC1(C(=O)O)CCCN(C(=O)[C@@H](N)Cc2ccccc2)C1.
What is the InChIKey of 1-[(2S)-2-amino-3-phenylpropanoyl]-3-methylpiperidine-3-carboxylic acid?
The InChIKey is UZZGOYVMDHSQCA-KNVGNIICSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-16(15(20)21)8-5-9-18(11-16)14(19)13(17)10-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11,17H2,1H3,(H,20,21)/t13-,16?/m0/s1.
What are the key properties of 1-[(2S)-2-amino-3-phenylpropanoyl]-3-methylpiperidine-3-carboxylic acid?
1-[(2S)-2-amino-3-phenylpropanoyl]-3-methylpiperidine-3-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-amino-3-phenylpropanoyl]-3-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 63134188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).