(2S)-3-hydroxy-2-methylpiperidine-1-carboxylic acid

C7H13NO3 — CID 67727161

IUPAC(2S)-3-hydroxy-2-methylpiperidine-1-carboxylic acid
SMILESC[C@H]1C(O)CCCN1C(=O)O
InChIInChI=1S/C7H13NO3/c1-5-6(9)3-2-4-8(5)7(10)11/h5-6,9H,2-4H2,1H3,(H,10,11)/t5-,6?/m0/s1
InChIKeyFUNULGBFPXYTNV-ZBHICJROSA-N
MW159.18 g/mol
LogP0.51
Rot. Bonds

About (2S)-3-hydroxy-2-methylpiperidine-1-carboxylic acid

(2S)-3-hydroxy-2-methylpiperidine-1-carboxylic acid (PubChem CID 67727161) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is (2S)-3-hydroxy-2-methylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S)-3-hydroxy-2-methylpiperidine-1-carboxylic acid
PubChem CID67727161
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name(2S)-3-hydroxy-2-methylpiperidine-1-carboxylic acid
SMILESC[C@H]1C(O)CCCN1C(=O)O
InChIInChI=1S/C7H13NO3/c1-5-6(9)3-2-4-8(5)7(10)11/h5-6,9H,2-4H2,1H3,(H,10,11)/t5-,6?/m0/s1
InChIKeyFUNULGBFPXYTNV-ZBHICJROSA-N
XLogP0.51
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cyclobutyl-(3-hydroxy-2-methylpiperidin-1-yl)methanone
CID 127015560
tert-butyl (2R,3S)-3-hydroxy-2-methylpiperidine-1-carboxylate
CID 11148613
2-(aminomethyl)-3-hydroxypiperidine-1-carboxylic acid
CID 150494906
2-fluoropyrrolidine-1-carboxylic acid
CID 23110189
(2R,3S)-2-methylpyrrolidine-1,3-dicarboxylic acid
CID 137367540
2-[methyl(methylsulfonyl)amino]pyrrolidine-1-carboxylic acid
CID 69106665
(2S)-3-hydroxy-2-methylpiperidine-1,4-dicarboxylic acid
CID 69349311
2-hydroxypiperidine-1-carboxylic acid;hydrochloride
CID 178068462
2-methyl-1-prop-2-enoylpiperidine-3-carboxylic acid
CID 130979256
(2R,3S)-2-methyl-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxylic acid
CID 175654063
2-tert-butyl-4-hydroxyazepane-1-carboxylic acid
CID 69028711
2-(dimethylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 89401620

Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-2-methylpiperidine-1-carboxylic acid?
The IUPAC name of (2S)-3-hydroxy-2-methylpiperidine-1-carboxylic acid (CID 67727161) is (2S)-3-hydroxy-2-methylpiperidine-1-carboxylic acid.
What is the SMILES notation for (2S)-3-hydroxy-2-methylpiperidine-1-carboxylic acid?
The canonical SMILES for (2S)-3-hydroxy-2-methylpiperidine-1-carboxylic acid is C[C@H]1C(O)CCCN1C(=O)O.
What is the InChIKey of (2S)-3-hydroxy-2-methylpiperidine-1-carboxylic acid?
The InChIKey is FUNULGBFPXYTNV-ZBHICJROSA-N. The full InChI is InChI=1S/C7H13NO3/c1-5-6(9)3-2-4-8(5)7(10)11/h5-6,9H,2-4H2,1H3,(H,10,11)/t5-,6?/m0/s1.
What are the key properties of (2S)-3-hydroxy-2-methylpiperidine-1-carboxylic acid?
(2S)-3-hydroxy-2-methylpiperidine-1-carboxylic acid has a molecular weight of 159.18 g/mol, XLogP of 0.51, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-2-methylpiperidine-1-carboxylic acid is sourced from PubChem (CID 67727161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).