4-(2-oxoethylidene)piperidine-1-carboxylic acid

C8H11NO3 — CID 23018030

IUPAC4-(2-oxoethylidene)piperidine-1-carboxylic acid
SMILESO=CC=C1CCN(C(=O)O)CC1
InChIInChI=1S/C8H11NO3/c10-6-3-7-1-4-9(5-2-7)8(11)12/h3,6H,1-2,4-5H2,(H,11,12)
InChIKeyHLNVJNXLQFTAGM-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.89
Rot. Bonds1

About 4-(2-oxoethylidene)piperidine-1-carboxylic acid

4-(2-oxoethylidene)piperidine-1-carboxylic acid (PubChem CID 23018030) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 4-(2-oxoethylidene)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-oxoethylidene)piperidine-1-carboxylic acid
PubChem CID23018030
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name4-(2-oxoethylidene)piperidine-1-carboxylic acid
SMILESO=CC=C1CCN(C(=O)O)CC1
InChIInChI=1S/C8H11NO3/c10-6-3-7-1-4-9(5-2-7)8(11)12/h3,6H,1-2,4-5H2,(H,11,12)
InChIKeyHLNVJNXLQFTAGM-UHFFFAOYSA-N
XLogP0.89
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-4-(2-oxoethylidene)piperidine-1-carboxylic acid
CID 74013277
4-[[4-(hydroxymethyl)phenyl]methylidene]piperidine-1-carboxylic acid
CID 71271047
formamide;3-methylidenepyrrolidine-1-carboxylic acid
CID 174681918
4-(1,3-benzodioxol-5-ylmethylidene)piperidine-1-carboxylic acid
CID 151428505
7-(hydroxyamino)-2,3,5,6-tetrahydro-1,4-diazepine-4-carboxylic acid
CID 87353732
3-ethylidenepiperidine-1-carboxylic acid
CID 174592383
4-[(3-fluoro-4-nitrophenyl)methylidene]piperidine-1-carboxylic acid
CID 67190864
oxalic acid;piperidine-1-carboxylic acid
CID 158853542
4-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]piperazine-1-carboxylic acid
CID 175244751
4-[[2-cyclopropyl-4-(trifluoromethyl)phenyl]methylidene]piperidine-1-carboxylic acid
CID 146380545
3,3,4,5,5-pentadeuterio-4-hydroxypiperidine-1-carboxylic acid
CID 118451416
(1R)-2-(2-oxoethylidene)cyclopropane-1-carboxylic acid
CID 175233757

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxoethylidene)piperidine-1-carboxylic acid?
The IUPAC name of 4-(2-oxoethylidene)piperidine-1-carboxylic acid (CID 23018030) is 4-(2-oxoethylidene)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(2-oxoethylidene)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(2-oxoethylidene)piperidine-1-carboxylic acid is O=CC=C1CCN(C(=O)O)CC1.
What is the InChIKey of 4-(2-oxoethylidene)piperidine-1-carboxylic acid?
The InChIKey is HLNVJNXLQFTAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c10-6-3-7-1-4-9(5-2-7)8(11)12/h3,6H,1-2,4-5H2,(H,11,12).
What are the key properties of 4-(2-oxoethylidene)piperidine-1-carboxylic acid?
4-(2-oxoethylidene)piperidine-1-carboxylic acid has a molecular weight of 169.18 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxoethylidene)piperidine-1-carboxylic acid is sourced from PubChem (CID 23018030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).