(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxymethyl]piperidine-2-carboxylic acid

C11H21NO4 — CID 66993125

IUPAC(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxymethyl]piperidine-2-carboxylic acid
SMILESCC(C)(C)OCN1CC[C@@H](O)C[C@@H]1C(=O)O
InChIInChI=1S/C11H21NO4/c1-11(2,3)16-7-12-5-4-8(13)6-9(12)10(14)15/h8-9,13H,4-7H2,1-3H3,(H,14,15)/t8-,9-/m1/s1
InChIKeyFHJGLNULZGIJOS-RKDXNWHRSA-N
MW231.29 g/mol
LogP0.67
Rot. Bonds3

About (2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxymethyl]piperidine-2-carboxylic acid

(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxymethyl]piperidine-2-carboxylic acid (PubChem CID 66993125) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is (2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxymethyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxymethyl]piperidine-2-carboxylic acid
PubChem CID66993125
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxymethyl]piperidine-2-carboxylic acid
SMILESCC(C)(C)OCN1CC[C@@H](O)C[C@@H]1C(=O)O
InChIInChI=1S/C11H21NO4/c1-11(2,3)16-7-12-5-4-8(13)6-9(12)10(14)15/h8-9,13H,4-7H2,1-3H3,(H,14,15)/t8-,9-/m1/s1
InChIKeyFHJGLNULZGIJOS-RKDXNWHRSA-N
XLogP0.67
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4R)-4-hydroxy-1-[(E)-2-methylbut-2-enyl]piperidine-2-carboxylic acid
CID 133112671
(2S,4R)-4-hydroxy-1-(methoxymethyl)pyrrolidine-2-carboxylic acid
CID 88652438
(2S,4S)-1-acetyl-4-hydroxypiperidine-2-carboxylic acid
CID 178194554
(2R,4S)-4-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-1-carboxylic acid
CID 162368053
(2R,4S)-1-[3-(furan-2-yl)prop-2-enyl]-4-hydroxypiperidine-2-carboxylic acid
CID 171138236
(2R,4S)-1-[(2,4-dimethoxyphenyl)methyl]-4-hydroxypiperidine-2-carboxylic acid
CID 50970711
(2S,4S)-4-hydroxy-1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylic acid
CID 54187811
4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;phenylmethanamine
CID 67241177
(2R,4S)-1-[(3,5-dichloro-4-pyridinyl)methyl]-4-hydroxypiperidine-2-carboxylic acid
CID 50981156
2-[(2-methylpropan-2-yl)oxymethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 123523507
4-methyl-1-propylpiperidine-2-carboxylic acid
CID 114426252
1-[(4-tert-butylphenyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351284

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxymethyl]piperidine-2-carboxylic acid?
The IUPAC name of (2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxymethyl]piperidine-2-carboxylic acid (CID 66993125) is (2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxymethyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxymethyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxymethyl]piperidine-2-carboxylic acid is CC(C)(C)OCN1CC[C@@H](O)C[C@@H]1C(=O)O.
What is the InChIKey of (2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxymethyl]piperidine-2-carboxylic acid?
The InChIKey is FHJGLNULZGIJOS-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H21NO4/c1-11(2,3)16-7-12-5-4-8(13)6-9(12)10(14)15/h8-9,13H,4-7H2,1-3H3,(H,14,15)/t8-,9-/m1/s1.
What are the key properties of (2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxymethyl]piperidine-2-carboxylic acid?
(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxymethyl]piperidine-2-carboxylic acid has a molecular weight of 231.29 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxymethyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 66993125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).