(2S,4S,5S)-5-hydroxy-4-methylpiperidine-2-carboxylic acid

C7H13NO3 — CID 45082299

IUPAC(2S,4S,5S)-5-hydroxy-4-methylpiperidine-2-carboxylic acid
SMILESC[C@H]1C[C@@H](C(=O)O)NC[C@H]1O
InChIInChI=1S/C7H13NO3/c1-4-2-5(7(10)11)8-3-6(4)9/h4-6,8-9H,2-3H2,1H3,(H,10,11)/t4-,5-,6+/m0/s1
InChIKeyLYWZKJKRAPMILM-HCWXCVPCSA-N
MW159.18 g/mol
LogP-0.57
Rot. Bonds1

About (2S,4S,5S)-5-hydroxy-4-methylpiperidine-2-carboxylic acid

(2S,4S,5S)-5-hydroxy-4-methylpiperidine-2-carboxylic acid (PubChem CID 45082299) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is (2S,4S,5S)-5-hydroxy-4-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S,5S)-5-hydroxy-4-methylpiperidine-2-carboxylic acid
PubChem CID45082299
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name(2S,4S,5S)-5-hydroxy-4-methylpiperidine-2-carboxylic acid
SMILESC[C@H]1C[C@@H](C(=O)O)NC[C@H]1O
InChIInChI=1S/C7H13NO3/c1-4-2-5(7(10)11)8-3-6(4)9/h4-6,8-9H,2-3H2,1H3,(H,10,11)/t4-,5-,6+/m0/s1
InChIKeyLYWZKJKRAPMILM-HCWXCVPCSA-N
XLogP-0.57
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4S,5S)-5-hydroxy-4-methylpiperidine-2-carboxylic acid?
The IUPAC name of (2S,4S,5S)-5-hydroxy-4-methylpiperidine-2-carboxylic acid (CID 45082299) is (2S,4S,5S)-5-hydroxy-4-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S,5S)-5-hydroxy-4-methylpiperidine-2-carboxylic acid?
The canonical SMILES for (2S,4S,5S)-5-hydroxy-4-methylpiperidine-2-carboxylic acid is C[C@H]1C[C@@H](C(=O)O)NC[C@H]1O.
What is the InChIKey of (2S,4S,5S)-5-hydroxy-4-methylpiperidine-2-carboxylic acid?
The InChIKey is LYWZKJKRAPMILM-HCWXCVPCSA-N. The full InChI is InChI=1S/C7H13NO3/c1-4-2-5(7(10)11)8-3-6(4)9/h4-6,8-9H,2-3H2,1H3,(H,10,11)/t4-,5-,6+/m0/s1.
What are the key properties of (2S,4S,5S)-5-hydroxy-4-methylpiperidine-2-carboxylic acid?
(2S,4S,5S)-5-hydroxy-4-methylpiperidine-2-carboxylic acid has a molecular weight of 159.18 g/mol, XLogP of -0.57, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,5S)-5-hydroxy-4-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 45082299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).