1-(2-amino-3-phenylpropanoyl)-4-propylpiperidine-2-carboxylic acid

C18H26N2O3 — CID 18446235

IUPAC1-(2-amino-3-phenylpropanoyl)-4-propylpiperidine-2-carboxylic acid
SMILESCCCC1CCN(C(=O)C(N)Cc2ccccc2)C(C(=O)O)C1
InChIInChI=1S/C18H26N2O3/c1-2-6-13-9-10-20(16(12-13)18(22)23)17(21)15(19)11-14-7-4-3-5-8-14/h3-5,7-8,13,15-16H,2,6,9-12,19H2,1H3,(H,22,23)
InChIKeyFTLVAABYDIELNL-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.05
Rot. Bonds6

About 1-(2-amino-3-phenylpropanoyl)-4-propylpiperidine-2-carboxylic acid

1-(2-amino-3-phenylpropanoyl)-4-propylpiperidine-2-carboxylic acid (PubChem CID 18446235) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-(2-amino-3-phenylpropanoyl)-4-propylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-amino-3-phenylpropanoyl)-4-propylpiperidine-2-carboxylic acid
PubChem CID18446235
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name1-(2-amino-3-phenylpropanoyl)-4-propylpiperidine-2-carboxylic acid
SMILESCCCC1CCN(C(=O)C(N)Cc2ccccc2)C(C(=O)O)C1
InChIInChI=1S/C18H26N2O3/c1-2-6-13-9-10-20(16(12-13)18(22)23)17(21)15(19)11-14-7-4-3-5-8-14/h3-5,7-8,13,15-16H,2,6,9-12,19H2,1H3,(H,22,23)
InChIKeyFTLVAABYDIELNL-UHFFFAOYSA-N
XLogP2.05
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-phenyl-1-(2-propylpiperidin-1-yl)propan-1-one
CID 83053177
1-(2-amino-3-methylpentanoyl)-4-propylpiperidine-2-carboxylic acid
CID 18446234
1-[(2S)-2-amino-3-phenylpropanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61158237
(2S,4R)-1-[(2S)-1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 175819948
(2S)-1-[(2R)-2-amino-3-(4-methoxyphenyl)propanoyl]azetidine-2-carboxylic acid
CID 22958434
4-[(2S)-2-amino-3-phenylpropanoyl]thiomorpholine-3-carboxylic acid
CID 82905155
4-(2-amino-3-phenylpropanoyl)thiomorpholine-3-carboxylic acid
CID 82904921
methyl 1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carboxylate
CID 61163138
1-[(2S)-2-amino-3-phenylpropanoyl]-N-methylpyrrolidine-2-carboxamide
CID 61164772
2-amino-3-(4-hydroxyphenyl)-1-(4-propylpiperidin-1-yl)propan-1-one
CID 76937313
1-[(2S)-2-amino-3-phenylpropanoyl]-N-methylpiperidine-2-carboxamide
CID 61163933
2-amino-3-phenyl-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one
CID 119276181

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-phenylpropanoyl)-4-propylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(2-amino-3-phenylpropanoyl)-4-propylpiperidine-2-carboxylic acid (CID 18446235) is 1-(2-amino-3-phenylpropanoyl)-4-propylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-amino-3-phenylpropanoyl)-4-propylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(2-amino-3-phenylpropanoyl)-4-propylpiperidine-2-carboxylic acid is CCCC1CCN(C(=O)C(N)Cc2ccccc2)C(C(=O)O)C1.
What is the InChIKey of 1-(2-amino-3-phenylpropanoyl)-4-propylpiperidine-2-carboxylic acid?
The InChIKey is FTLVAABYDIELNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-2-6-13-9-10-20(16(12-13)18(22)23)17(21)15(19)11-14-7-4-3-5-8-14/h3-5,7-8,13,15-16H,2,6,9-12,19H2,1H3,(H,22,23).
What are the key properties of 1-(2-amino-3-phenylpropanoyl)-4-propylpiperidine-2-carboxylic acid?
1-(2-amino-3-phenylpropanoyl)-4-propylpiperidine-2-carboxylic acid has a molecular weight of 318.42 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-phenylpropanoyl)-4-propylpiperidine-2-carboxylic acid is sourced from PubChem (CID 18446235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).