3-ethenyl-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid

C14H23NO4 — CID 155270854

IUPAC3-ethenyl-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
SMILESC=CC1CCCN(C(=O)OC(C)(C)C)C1(C)C(=O)O
InChIInChI=1S/C14H23NO4/c1-6-10-8-7-9-15(14(10,5)11(16)17)12(18)19-13(2,3)4/h6,10H,1,7-9H2,2-5H3,(H,16,17)
InChIKeyIQTCACZSSXDXCO-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.66
Rot. Bonds2

About 3-ethenyl-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid

3-ethenyl-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid (PubChem CID 155270854) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3-ethenyl-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name3-ethenyl-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
PubChem CID155270854
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name3-ethenyl-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
SMILESC=CC1CCCN(C(=O)OC(C)(C)C)C1(C)C(=O)O
InChIInChI=1S/C14H23NO4/c1-6-10-8-7-9-15(14(10,5)11(16)17)12(18)19-13(2,3)4/h6,10H,1,7-9H2,2-5H3,(H,16,17)
InChIKeyIQTCACZSSXDXCO-UHFFFAOYSA-N
XLogP2.66
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-ethenyl-2-methylpiperidine-1-carboxylate
CID 166068808
2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 42614787
(2R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 27281688
tert-butyl 2-prop-2-enylpyrrolidine-1-carboxylate
CID 3755290
tert-butyl 2,2-bis(prop-2-enyl)pyrrolidine-1-carboxylate
CID 25155771
ditert-butyl 2-methylpyrrolidine-1,2-dicarboxylate
CID 68574402
2-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 22556536
(3S,8aS)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-3-carboxylic acid
CID 66972982
(2R,4R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-prop-2-enoxypyrrolidine-2-carboxylic acid
CID 66593351
(2R)-2-iodo-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 134421765
tert-butyl (1S,5R)-1-prop-2-enyl-2-azabicyclo[3.1.0]hexane-2-carboxylate
CID 102599076
tert-butyl (2R)-2-prop-2-enoxypyrrolidine-1-carboxylate
CID 59825158

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid?
The IUPAC name of 3-ethenyl-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid (CID 155270854) is 3-ethenyl-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 3-ethenyl-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid?
The canonical SMILES for 3-ethenyl-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid is C=CC1CCCN(C(=O)OC(C)(C)C)C1(C)C(=O)O.
What is the InChIKey of 3-ethenyl-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid?
The InChIKey is IQTCACZSSXDXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-6-10-8-7-9-15(14(10,5)11(16)17)12(18)19-13(2,3)4/h6,10H,1,7-9H2,2-5H3,(H,16,17).
What are the key properties of 3-ethenyl-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid?
3-ethenyl-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 155270854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).