1-[2-(prop-2-enylamino)acetyl]piperidine-4-carboxylic acid

C11H18N2O3 — CID 79279797

IUPAC1-[2-(prop-2-enylamino)acetyl]piperidine-4-carboxylic acid
SMILESC=CCNCC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C11H18N2O3/c1-2-5-12-8-10(14)13-6-3-9(4-7-13)11(15)16/h2,9,12H,1,3-8H2,(H,15,16)
InChIKeyHQMUSTBIUHYBOM-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.09
Rot. Bonds5

About 1-[2-(prop-2-enylamino)acetyl]piperidine-4-carboxylic acid

1-[2-(prop-2-enylamino)acetyl]piperidine-4-carboxylic acid (PubChem CID 79279797) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-[2-(prop-2-enylamino)acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(prop-2-enylamino)acetyl]piperidine-4-carboxylic acid
PubChem CID79279797
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name1-[2-(prop-2-enylamino)acetyl]piperidine-4-carboxylic acid
SMILESC=CCNCC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C11H18N2O3/c1-2-5-12-8-10(14)13-6-3-9(4-7-13)11(15)16/h2,9,12H,1,3-8H2,(H,15,16)
InChIKeyHQMUSTBIUHYBOM-UHFFFAOYSA-N
XLogP0.09
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[2-(prop-2-enylamino)acetyl]piperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(prop-2-enylamino)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
CID 79280161
1-[2-[[2-(methylamino)-2-oxoethyl]amino]acetyl]piperidine-4-carboxylic acid
CID 103237505
1-[2-(2-methylpropylamino)acetyl]piperidine-4-carboxylic acid
CID 103869483
1-[2-[(2-methoxy-2-oxoethyl)amino]acetyl]piperidine-4-carboxylic acid
CID 103231226
1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(prop-2-enylamino)ethanone
CID 79278808
1-[4-(diethylaminomethyl)piperidin-1-yl]-2-(prop-2-enylamino)ethanone
CID 79279608
1-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]piperidine-4-carboxylic acid
CID 103239210
1-[2-[(3-amino-2-hydroxy-3-oxopropyl)amino]acetyl]piperidine-4-carboxylic acid
CID 114154411
1-[2-(2-methoxyethylamino)acetyl]piperidine-4-carboxylic acid
CID 79280780
1-[2-[(3-hydroxycyclopentyl)methylamino]acetyl]piperidine-4-carboxylic acid
CID 106136922
1-[2-(3-methoxypropylamino)acetyl]piperidine-4-carboxylic acid
CID 103237166
1-[2-[[3-(dimethylamino)-3-oxopropyl]amino]acetyl]piperidine-4-carboxylic acid
CID 103244738

Frequently Asked Questions

What is the IUPAC name of 1-[2-(prop-2-enylamino)acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(prop-2-enylamino)acetyl]piperidine-4-carboxylic acid (CID 79279797) is 1-[2-(prop-2-enylamino)acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(prop-2-enylamino)acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(prop-2-enylamino)acetyl]piperidine-4-carboxylic acid is C=CCNCC(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[2-(prop-2-enylamino)acetyl]piperidine-4-carboxylic acid?
The InChIKey is HQMUSTBIUHYBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-2-5-12-8-10(14)13-6-3-9(4-7-13)11(15)16/h2,9,12H,1,3-8H2,(H,15,16).
What are the key properties of 1-[2-(prop-2-enylamino)acetyl]piperidine-4-carboxylic acid?
1-[2-(prop-2-enylamino)acetyl]piperidine-4-carboxylic acid has a molecular weight of 226.28 g/mol, XLogP of 0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(prop-2-enylamino)acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 79279797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).