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

C15H27NO4 — CID 118368153

IUPAC(3S,5S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-(2-methylpropyl)piperidine-3-carboxylic acid
SMILESCC(C)C[C@H]1C[C@H](C(=O)O)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H27NO4/c1-10(2)6-11-7-12(13(17)18)9-16(8-11)14(19)20-15(3,4)5/h10-12H,6-9H2,1-5H3,(H,17,18)/t11-,12-/m0/s1
InChIKeyDXFKPVUQYCVROE-RYUDHWBXSA-N
MW285.38 g/mol
LogP2.99
Rot. Bonds3

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

(3S,5S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-(2-methylpropyl)piperidine-3-carboxylic acid (PubChem CID 118368153) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is (3S,5S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-(2-methylpropyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,5S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-(2-methylpropyl)piperidine-3-carboxylic acid
PubChem CID118368153
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name(3S,5S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-(2-methylpropyl)piperidine-3-carboxylic acid
SMILESCC(C)C[C@H]1C[C@H](C(=O)O)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H27NO4/c1-10(2)6-11-7-12(13(17)18)9-16(8-11)14(19)20-15(3,4)5/h10-12H,6-9H2,1-5H3,(H,17,18)/t11-,12-/m0/s1
InChIKeyDXFKPVUQYCVROE-RYUDHWBXSA-N
XLogP2.99
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,5S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-(2-methylpropyl)piperidine-3-carboxylic acid?
The IUPAC name of (3S,5S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-(2-methylpropyl)piperidine-3-carboxylic acid (CID 118368153) is (3S,5S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-(2-methylpropyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3S,5S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-(2-methylpropyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3S,5S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-(2-methylpropyl)piperidine-3-carboxylic acid is CC(C)C[C@H]1C[C@H](C(=O)O)CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of (3S,5S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-(2-methylpropyl)piperidine-3-carboxylic acid?
The InChIKey is DXFKPVUQYCVROE-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H27NO4/c1-10(2)6-11-7-12(13(17)18)9-16(8-11)14(19)20-15(3,4)5/h10-12H,6-9H2,1-5H3,(H,17,18)/t11-,12-/m0/s1.
What are the key properties of (3S,5S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-(2-methylpropyl)piperidine-3-carboxylic acid?
(3S,5S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-(2-methylpropyl)piperidine-3-carboxylic acid has a molecular weight of 285.38 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-(2-methylpropyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 118368153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).