1-[(2-methylpropan-2-yl)oxycarbonyl]-2-prop-2-enylpiperidine-2-carboxylic acid

C14H23NO4 — CID 11161531

IUPAC1-[(2-methylpropan-2-yl)oxycarbonyl]-2-prop-2-enylpiperidine-2-carboxylic acid
SMILESC=CCC1(C(=O)O)CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H23NO4/c1-5-8-14(11(16)17)9-6-7-10-15(14)12(18)19-13(2,3)4/h5H,1,6-10H2,2-4H3,(H,16,17)
InChIKeyZQVNTVMOUXIFCN-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.81
Rot. Bonds3

About 1-[(2-methylpropan-2-yl)oxycarbonyl]-2-prop-2-enylpiperidine-2-carboxylic acid

1-[(2-methylpropan-2-yl)oxycarbonyl]-2-prop-2-enylpiperidine-2-carboxylic acid (PubChem CID 11161531) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxycarbonyl]-2-prop-2-enylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxycarbonyl]-2-prop-2-enylpiperidine-2-carboxylic acid
PubChem CID11161531
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name1-[(2-methylpropan-2-yl)oxycarbonyl]-2-prop-2-enylpiperidine-2-carboxylic acid
SMILESC=CCC1(C(=O)O)CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H23NO4/c1-5-8-14(11(16)17)9-6-7-10-15(14)12(18)19-13(2,3)4/h5H,1,6-10H2,2-4H3,(H,16,17)
InChIKeyZQVNTVMOUXIFCN-UHFFFAOYSA-N
XLogP2.81
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.81
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

Boc-(R)-alpha-allyl-Pro-OH
CID 2761958
1-[(Tert-butoxy)carbonyl]-2-(prop-2-en-1-yl)pyrrolidine-2-carboxylic acid
CID 4607339
Boc-(S)-alpha-allyl-Pro-OH
CID 7145647
1-[(Tert-butoxy)carbonyl]-2-methylpiperidine-2-carboxylic acid
CID 42614787
1-[(Tert-butoxy)carbonyl]-4-methylidenepiperidine-2-carboxylic acid
CID 101354393
2-(Prop-2-en-1-yl)-1-(2,2,2-trifluoroacetyl)piperidine-2-carboxylic acid
CID 165907241
1-Tert-butyl 2-methyl 2-(prop-2-en-1-yl)piperidine-1,2-dicarboxylate
CID 11022403
(2S)-2-but-3-enyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 15816897
3-[3-Ethenyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid
CID 17964987
2-Prop-2-enylpiperidine-1,2-dicarboxylic acid
CID 19808305
4-[(2S)-2-carboxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enyl]piperidine-1-carboxylic acid
CID 21015101
4-[2-Carboxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enyl]piperidine-1-carboxylic acid
CID 22238393

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxycarbonyl]-2-prop-2-enylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxycarbonyl]-2-prop-2-enylpiperidine-2-carboxylic acid (CID 11161531) is 1-[(2-methylpropan-2-yl)oxycarbonyl]-2-prop-2-enylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxycarbonyl]-2-prop-2-enylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxycarbonyl]-2-prop-2-enylpiperidine-2-carboxylic acid is C=CCC1(C(=O)O)CCCCN1C(=O)OC(C)(C)C.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxycarbonyl]-2-prop-2-enylpiperidine-2-carboxylic acid?
The InChIKey is ZQVNTVMOUXIFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-5-8-14(11(16)17)9-6-7-10-15(14)12(18)19-13(2,3)4/h5H,1,6-10H2,2-4H3,(H,16,17).
What are the key properties of 1-[(2-methylpropan-2-yl)oxycarbonyl]-2-prop-2-enylpiperidine-2-carboxylic acid?
1-[(2-methylpropan-2-yl)oxycarbonyl]-2-prop-2-enylpiperidine-2-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxycarbonyl]-2-prop-2-enylpiperidine-2-carboxylic acid is sourced from PubChem (CID 11161531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).