(2S,6R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-6-prop-2-enylpiperidine-2-carboxylic acid

C14H23NO4 — CID 141291212

IUPAC(2S,6R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-6-prop-2-enylpiperidine-2-carboxylic acid
SMILESC=CC[C@H]1CCC[C@@H](C(=O)O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C14H23NO4/c1-5-7-10-8-6-9-11(12(16)17)15(10)13(18)19-14(2,3)4/h5,10-11H,1,6-9H2,2-4H3,(H,16,17)/t10-,11-/m0/s1
InChIKeyWKKDXFATBZWQRN-QWRGUYRKSA-N
MW269.34 g/mol
LogP2.81
Rot. Bonds3

About (2S,6R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-6-prop-2-enylpiperidine-2-carboxylic acid

(2S,6R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-6-prop-2-enylpiperidine-2-carboxylic acid (PubChem CID 141291212) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is (2S,6R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-6-prop-2-enylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,6R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-6-prop-2-enylpiperidine-2-carboxylic acid
PubChem CID141291212
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name(2S,6R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-6-prop-2-enylpiperidine-2-carboxylic acid
SMILESC=CC[C@H]1CCC[C@@H](C(=O)O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C14H23NO4/c1-5-7-10-8-6-9-11(12(16)17)15(10)13(18)19-14(2,3)4/h5,10-11H,1,6-9H2,2-4H3,(H,16,17)/t10-,11-/m0/s1
InChIKeyWKKDXFATBZWQRN-QWRGUYRKSA-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

1-O-tert-butyl 2-O-methyl (2S,6R)-6-prop-2-enylpiperidine-1,2-dicarboxylate
CID 67092681
1-O-tert-butyl 2-O-ethyl 5-prop-2-enylpyrrolidine-1,2-dicarboxylate
CID 66750521
1-O-tert-butyl 2-O-ethyl (2R,5R)-5-prop-2-enylpyrrolidine-1,2-dicarboxylate
CID 59828299
tert-butyl (2S,5R)-2-(hydroxymethyl)-5-prop-2-enylpyrrolidine-1-carboxylate
CID 67093055
tert-butyl 2-prop-2-enylpyrrolidine-1-carboxylate
CID 3755290
(2R,6R)-6-ethyl-1-prop-2-enoxycarbonylpiperidine-2-carboxylic acid
CID 167714721
tert-butyl 2-[[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]methyl]-5-prop-2-enylpyrrolidine-1-carboxylate
CID 67093122
methyl (2S,6R)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoyl]-6-prop-2-enylpiperidine-2-carboxylate
CID 58741984
(2S,5R)-5-(2-hydroxypropan-2-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 101111979
1-O-tert-butyl 2-O-methyl 6-propylpiperidine-1,2-dicarboxylate
CID 59679477
(5R)-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 57249393
tert-butyl (2S,5R)-1-(2-methoxy-2-oxoacetyl)-5-prop-2-enylpyrrolidine-2-carboxylate
CID 11426478

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-6-prop-2-enylpiperidine-2-carboxylic acid?
The IUPAC name of (2S,6R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-6-prop-2-enylpiperidine-2-carboxylic acid (CID 141291212) is (2S,6R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-6-prop-2-enylpiperidine-2-carboxylic acid.
What is the SMILES notation for (2S,6R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-6-prop-2-enylpiperidine-2-carboxylic acid?
The canonical SMILES for (2S,6R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-6-prop-2-enylpiperidine-2-carboxylic acid is C=CC[C@H]1CCC[C@@H](C(=O)O)N1C(=O)OC(C)(C)C.
What is the InChIKey of (2S,6R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-6-prop-2-enylpiperidine-2-carboxylic acid?
The InChIKey is WKKDXFATBZWQRN-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H23NO4/c1-5-7-10-8-6-9-11(12(16)17)15(10)13(18)19-14(2,3)4/h5,10-11H,1,6-9H2,2-4H3,(H,16,17)/t10-,11-/m0/s1.
What are the key properties of (2S,6R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-6-prop-2-enylpiperidine-2-carboxylic acid?
(2S,6R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-6-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 (2S,6R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-6-prop-2-enylpiperidine-2-carboxylic acid is sourced from PubChem (CID 141291212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).