(5Z,6Z)-1-(2-aminopropanoyl)-5-[(Z)-but-2-enylidene]-6-ethylidenepiperidine-2-carboxylic acid

C15H22N2O3 — CID 143961686

IUPAC(5Z,6Z)-1-(2-aminopropanoyl)-5-[(Z)-but-2-enylidene]-6-ethylidenepiperidine-2-carboxylic acid
SMILESC/C=C\C=C1\CCC(C(=O)O)N(C(=O)C(C)N)\C1=C/C
InChIInChI=1S/C15H22N2O3/c1-4-6-7-11-8-9-13(15(19)20)17(12(11)5-2)14(18)10(3)16/h4-7,10,13H,8-9,16H2,1-3H3,(H,19,20)/b6-4-,11-7-,12-5-
InChIKeyKCXJAINRXABXCK-RPDUDUKISA-N
MW278.35 g/mol
LogP1.82
Rot. Bonds3

About (5Z,6Z)-1-(2-aminopropanoyl)-5-[(Z)-but-2-enylidene]-6-ethylidenepiperidine-2-carboxylic acid

(5Z,6Z)-1-(2-aminopropanoyl)-5-[(Z)-but-2-enylidene]-6-ethylidenepiperidine-2-carboxylic acid (PubChem CID 143961686) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (5Z,6Z)-1-(2-aminopropanoyl)-5-[(Z)-but-2-enylidene]-6-ethylidenepiperidine-2-carboxylic acid.

Molecular Properties

Compound Name(5Z,6Z)-1-(2-aminopropanoyl)-5-[(Z)-but-2-enylidene]-6-ethylidenepiperidine-2-carboxylic acid
PubChem CID143961686
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(5Z,6Z)-1-(2-aminopropanoyl)-5-[(Z)-but-2-enylidene]-6-ethylidenepiperidine-2-carboxylic acid
SMILESC/C=C\C=C1\CCC(C(=O)O)N(C(=O)C(C)N)\C1=C/C
InChIInChI=1S/C15H22N2O3/c1-4-6-7-11-8-9-13(15(19)20)17(12(11)5-2)14(18)10(3)16/h4-7,10,13H,8-9,16H2,1-3H3,(H,19,20)/b6-4-,11-7-,12-5-
InChIKeyKCXJAINRXABXCK-RPDUDUKISA-N
XLogP1.82
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (5Z,6Z)-1-(2-aminopropanoyl)-5-[(Z)-but-2-enylidene]-6-ethylidenepiperidine-2-carboxylic acid with MolForge

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Related Compounds

2-(3-amino-2-oxo-4,5,6,7-tetrahydro-3H-1-benzazepin-1-yl)acetic acid
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CID 70397893
(2S)-2-(2-acetamidopropanoylamino)-3-cyclohexa-1,3-dien-1-ylpropanoic acid
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2-[[(2S)-2-aminopropanoyl]amino]-2-(6-sulfanylidenecyclohexa-1,3-dien-1-yl)acetic acid
CID 88639103
1-[2-[[3-Methyl-2-(propanoylamino)pentanoyl]amino]acetyl]-2,3,4,5-tetrahydroindole-2-carboxylic acid
CID 123661848
(2S)-2-[[2-(3-acetyl-2-oxo-1-pyridinyl)acetyl]amino]-6-aminohexanoic acid
CID 141307771
ethane;(2E,3Z)-3-ethylidene-2-prop-2-enylidene-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine-5-carboxylic acid
CID 141791835
1-(3-Aminocyclohepta-1,3-diene-1-carbonyl)piperidine-2-carboxylic acid;ethane
CID 142171532
1-[(2E,4E)-4-amino-2-ethenylhexa-2,4-dienoyl]piperidine-2-carboxylic acid
CID 142883667
2-[2,6-Bis(methylamino)hexanoylamino]-3-cyclohepta-1,4,6-trien-1-ylpropanoic acid;ethane
CID 142905881
(4Z,5E)-5-[(Z)-but-2-enylidene]-4-ethylidenepiperidine-2-carboxylic acid
CID 143289858
ethane;(4Z,5E)-5-ethylidene-4-prop-2-enylidenepiperidine-2-carboxylic acid
CID 143289861

Frequently Asked Questions

What is the IUPAC name of (5Z,6Z)-1-(2-aminopropanoyl)-5-[(Z)-but-2-enylidene]-6-ethylidenepiperidine-2-carboxylic acid?
The IUPAC name of (5Z,6Z)-1-(2-aminopropanoyl)-5-[(Z)-but-2-enylidene]-6-ethylidenepiperidine-2-carboxylic acid (CID 143961686) is (5Z,6Z)-1-(2-aminopropanoyl)-5-[(Z)-but-2-enylidene]-6-ethylidenepiperidine-2-carboxylic acid.
What is the SMILES notation for (5Z,6Z)-1-(2-aminopropanoyl)-5-[(Z)-but-2-enylidene]-6-ethylidenepiperidine-2-carboxylic acid?
The canonical SMILES for (5Z,6Z)-1-(2-aminopropanoyl)-5-[(Z)-but-2-enylidene]-6-ethylidenepiperidine-2-carboxylic acid is C/C=C\C=C1\CCC(C(=O)O)N(C(=O)C(C)N)\C1=C/C.
What is the InChIKey of (5Z,6Z)-1-(2-aminopropanoyl)-5-[(Z)-but-2-enylidene]-6-ethylidenepiperidine-2-carboxylic acid?
The InChIKey is KCXJAINRXABXCK-RPDUDUKISA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-6-7-11-8-9-13(15(19)20)17(12(11)5-2)14(18)10(3)16/h4-7,10,13H,8-9,16H2,1-3H3,(H,19,20)/b6-4-,11-7-,12-5-.
What are the key properties of (5Z,6Z)-1-(2-aminopropanoyl)-5-[(Z)-but-2-enylidene]-6-ethylidenepiperidine-2-carboxylic acid?
(5Z,6Z)-1-(2-aminopropanoyl)-5-[(Z)-but-2-enylidene]-6-ethylidenepiperidine-2-carboxylic acid has a molecular weight of 278.35 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,6Z)-1-(2-aminopropanoyl)-5-[(Z)-but-2-enylidene]-6-ethylidenepiperidine-2-carboxylic acid is sourced from PubChem (CID 143961686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).