6-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid

C11H19NO4 — CID 90725204

IUPAC6-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)C1CCCC(C(=O)O)N1
InChIInChI=1S/C11H19NO4/c1-11(2,3)16-10(15)8-6-4-5-7(12-8)9(13)14/h7-8,12H,4-6H2,1-3H3,(H,13,14)
InChIKeyHAGCAMQBLBXFAU-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.92
Rot. Bonds2

About 6-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid

6-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid (PubChem CID 90725204) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 6-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
PubChem CID90725204
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name6-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)C1CCCC(C(=O)O)N1
InChIInChI=1S/C11H19NO4/c1-11(2,3)16-10(15)8-6-4-5-7(12-8)9(13)14/h7-8,12H,4-6H2,1-3H3,(H,13,14)
InChIKeyHAGCAMQBLBXFAU-UHFFFAOYSA-N
XLogP0.92
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-5-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 71748131
tert-butyl 6-methylpiperidine-2-carboxylate
CID 78131880
(6S)-piperidine-2,6-dicarboxylic acid
CID 126584428
4,4-dimethyl-7-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-azasilepane-2-carboxylic acid
CID 10755741
tert-butyl (2S,6R)-6-phenylpiperidine-2-carboxylate
CID 10659095
(2R,6S)-4,6-bis[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
CID 155859069
tert-butyl (2R)-pyrrolidine-2-carboxylate
CID 6931635
tert-butyl 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxylate
CID 66469091
tert-butyl (2S,5S)-5-ethylpyrrolidine-2-carboxylate
CID 70085828
3-[(2-methylpropan-2-yl)oxycarbonyl]diazinane-1-carboxylic acid
CID 56621612
tert-butyl (2R)-azetidine-2-carboxylate;hydrochloride
CID 146049865
(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 54758943

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid?
The IUPAC name of 6-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid (CID 90725204) is 6-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 6-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid?
The canonical SMILES for 6-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid is CC(C)(C)OC(=O)C1CCCC(C(=O)O)N1.
What is the InChIKey of 6-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid?
The InChIKey is HAGCAMQBLBXFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-11(2,3)16-10(15)8-6-4-5-7(12-8)9(13)14/h7-8,12H,4-6H2,1-3H3,(H,13,14).
What are the key properties of 6-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid?
6-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid has a molecular weight of 229.28 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 90725204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).