1-(prop-2-enoylamino)piperidine-4-carboxylic acid

C9H14N2O3 — CID 175313689

IUPAC1-(prop-2-enoylamino)piperidine-4-carboxylic acid
SMILESC=CC(=O)NN1CCC(C(=O)O)CC1
InChIInChI=1S/C9H14N2O3/c1-2-8(12)10-11-5-3-7(4-6-11)9(13)14/h2,7H,1,3-6H2,(H,10,12)(H,13,14)
InChIKeyYWIFIPMVEAJFMW-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.00
Rot. Bonds3

About 1-(prop-2-enoylamino)piperidine-4-carboxylic acid

1-(prop-2-enoylamino)piperidine-4-carboxylic acid (PubChem CID 175313689) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 1-(prop-2-enoylamino)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(prop-2-enoylamino)piperidine-4-carboxylic acid
PubChem CID175313689
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name1-(prop-2-enoylamino)piperidine-4-carboxylic acid
SMILESC=CC(=O)NN1CCC(C(=O)O)CC1
InChIInChI=1S/C9H14N2O3/c1-2-8(12)10-11-5-3-7(4-6-11)9(13)14/h2,7H,1,3-6H2,(H,10,12)(H,13,14)
InChIKeyYWIFIPMVEAJFMW-UHFFFAOYSA-N
XLogP0.00
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-Acetamidopiperidine-4-carboxylic acid
CID 140563912
Ethyl 1-(prop-2-enoylamino)piperidine-4-carboxylate
CID 175313674
1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidine-4-carboxylic acid
CID 43354127

Frequently Asked Questions

What is the IUPAC name of 1-(prop-2-enoylamino)piperidine-4-carboxylic acid?
The IUPAC name of 1-(prop-2-enoylamino)piperidine-4-carboxylic acid (CID 175313689) is 1-(prop-2-enoylamino)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(prop-2-enoylamino)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(prop-2-enoylamino)piperidine-4-carboxylic acid is C=CC(=O)NN1CCC(C(=O)O)CC1.
What is the InChIKey of 1-(prop-2-enoylamino)piperidine-4-carboxylic acid?
The InChIKey is YWIFIPMVEAJFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-2-8(12)10-11-5-3-7(4-6-11)9(13)14/h2,7H,1,3-6H2,(H,10,12)(H,13,14).
What are the key properties of 1-(prop-2-enoylamino)piperidine-4-carboxylic acid?
1-(prop-2-enoylamino)piperidine-4-carboxylic acid has a molecular weight of 198.22 g/mol, XLogP of 0.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(prop-2-enoylamino)piperidine-4-carboxylic acid is sourced from PubChem (CID 175313689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).