(2S)-3-hydroxy-2-methylpiperidine-1,4-dicarboxylic acid

C8H13NO5 — CID 69349311

IUPAC(2S)-3-hydroxy-2-methylpiperidine-1,4-dicarboxylic acid
SMILESC[C@H]1C(O)C(C(=O)O)CCN1C(=O)O
InChIInChI=1S/C8H13NO5/c1-4-6(10)5(7(11)12)2-3-9(4)8(13)14/h4-6,10H,2-3H2,1H3,(H,11,12)(H,13,14)/t4-,5?,6?/m0/s1
InChIKeyZZBJAGPVEYMKKU-KXGSVCODSA-N
MW203.19 g/mol
LogP-0.18
Rot. Bonds1

About (2S)-3-hydroxy-2-methylpiperidine-1,4-dicarboxylic acid

(2S)-3-hydroxy-2-methylpiperidine-1,4-dicarboxylic acid (PubChem CID 69349311) has the molecular formula C8H13NO5 and a molecular weight of 203.19 g/mol. Its IUPAC name is (2S)-3-hydroxy-2-methylpiperidine-1,4-dicarboxylic acid.

Molecular Properties

Compound Name(2S)-3-hydroxy-2-methylpiperidine-1,4-dicarboxylic acid
PubChem CID69349311
Molecular FormulaC8H13NO5
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Name(2S)-3-hydroxy-2-methylpiperidine-1,4-dicarboxylic acid
SMILESC[C@H]1C(O)C(C(=O)O)CCN1C(=O)O
InChIInChI=1S/C8H13NO5/c1-4-6(10)5(7(11)12)2-3-9(4)8(13)14/h4-6,10H,2-3H2,1H3,(H,11,12)(H,13,14)/t4-,5?,6?/m0/s1
InChIKeyZZBJAGPVEYMKKU-KXGSVCODSA-N
XLogP-0.18
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-2-methylpyrrolidine-1,3-dicarboxylic acid
CID 137367540
(2S)-3-hydroxy-2-methylpiperidine-1-carboxylic acid
CID 67727161
2-methyl-1-prop-2-enoylpyrrolidine-3-carboxylic acid
CID 79364112
1-but-2-ynoyl-2-methylpyrrolidine-3-carboxylic acid
CID 107986829
2-methyl-1-(4-methylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 79363721
3-(bromomethyl)-2-methylpyrrolidine-1-carboxylic acid
CID 139490802
2-methyl-1-[methyl-(1-methylpiperidin-4-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 79382850
2-methyl-1-(3-methylpyrrolidine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 79383271
1-(azetidine-3-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79371917
1-[1-hydroxypropan-2-yl(methyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 104553133
2-methyl-1-propan-2-ylpyrrolidine-3-carboxylic acid
CID 79372586
1-cyclopropyl-2-methylpyrrolidine-3-carboxylic acid
CID 83816133

Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-2-methylpiperidine-1,4-dicarboxylic acid?
The IUPAC name of (2S)-3-hydroxy-2-methylpiperidine-1,4-dicarboxylic acid (CID 69349311) is (2S)-3-hydroxy-2-methylpiperidine-1,4-dicarboxylic acid.
What is the SMILES notation for (2S)-3-hydroxy-2-methylpiperidine-1,4-dicarboxylic acid?
The canonical SMILES for (2S)-3-hydroxy-2-methylpiperidine-1,4-dicarboxylic acid is C[C@H]1C(O)C(C(=O)O)CCN1C(=O)O.
What is the InChIKey of (2S)-3-hydroxy-2-methylpiperidine-1,4-dicarboxylic acid?
The InChIKey is ZZBJAGPVEYMKKU-KXGSVCODSA-N. The full InChI is InChI=1S/C8H13NO5/c1-4-6(10)5(7(11)12)2-3-9(4)8(13)14/h4-6,10H,2-3H2,1H3,(H,11,12)(H,13,14)/t4-,5?,6?/m0/s1.
What are the key properties of (2S)-3-hydroxy-2-methylpiperidine-1,4-dicarboxylic acid?
(2S)-3-hydroxy-2-methylpiperidine-1,4-dicarboxylic acid has a molecular weight of 203.19 g/mol, XLogP of -0.18, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-2-methylpiperidine-1,4-dicarboxylic acid is sourced from PubChem (CID 69349311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).