(3R,5S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3,5-dicarboxylic acid

C12H19NO6 — CID 18665746

IUPAC(3R,5S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3,5-dicarboxylic acid
SMILESCC(C)(C)OC(=O)N1C[C@H](C(=O)O)C[C@H](C(=O)O)C1
InChIInChI=1S/C12H19NO6/c1-12(2,3)19-11(18)13-5-7(9(14)15)4-8(6-13)10(16)17/h7-8H,4-6H2,1-3H3,(H,14,15)(H,16,17)/t7-,8+
InChIKeyVACTVXMKHNDVTL-OCAPTIKFSA-N
MW273.28 g/mol
LogP1.03
Rot. Bonds2

About (3R,5S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3,5-dicarboxylic acid

(3R,5S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3,5-dicarboxylic acid (PubChem CID 18665746) has the molecular formula C12H19NO6 and a molecular weight of 273.28 g/mol. Its IUPAC name is (3R,5S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name(3R,5S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3,5-dicarboxylic acid
PubChem CID18665746
Molecular FormulaC12H19NO6
Molecular Weight273.28 g/mol
Exact Mass273.12
IUPAC Name(3R,5S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3,5-dicarboxylic acid
SMILESCC(C)(C)OC(=O)N1C[C@H](C(=O)O)C[C@H](C(=O)O)C1
InChIInChI=1S/C12H19NO6/c1-12(2,3)19-11(18)13-5-7(9(14)15)4-8(6-13)10(16)17/h7-8H,4-6H2,1-3H3,(H,14,15)(H,16,17)/t7-,8+
InChIKeyVACTVXMKHNDVTL-OCAPTIKFSA-N
XLogP1.03
TPSA104.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3,5-dicarboxylic acid?
The IUPAC name of (3R,5S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3,5-dicarboxylic acid (CID 18665746) is (3R,5S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3,5-dicarboxylic acid.
What is the SMILES notation for (3R,5S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3,5-dicarboxylic acid?
The canonical SMILES for (3R,5S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3,5-dicarboxylic acid is CC(C)(C)OC(=O)N1C[C@H](C(=O)O)C[C@H](C(=O)O)C1.
What is the InChIKey of (3R,5S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3,5-dicarboxylic acid?
The InChIKey is VACTVXMKHNDVTL-OCAPTIKFSA-N. The full InChI is InChI=1S/C12H19NO6/c1-12(2,3)19-11(18)13-5-7(9(14)15)4-8(6-13)10(16)17/h7-8H,4-6H2,1-3H3,(H,14,15)(H,16,17)/t7-,8+.
What are the key properties of (3R,5S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3,5-dicarboxylic acid?
(3R,5S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3,5-dicarboxylic acid has a molecular weight of 273.28 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3,5-dicarboxylic acid is sourced from PubChem (CID 18665746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).