(3S)-5-amino-2-methylpiperidine-3,4-diol

C6H14N2O2 — CID 59928049

IUPAC(3S)-5-amino-2-methylpiperidine-3,4-diol
SMILESCC1NCC(N)C(O)[C@H]1O
InChIInChI=1S/C6H14N2O2/c1-3-5(9)6(10)4(7)2-8-3/h3-6,8-10H,2,7H2,1H3/t3?,4?,5-,6?/m0/s1
InChIKeyVFPDCZWEJWKYSV-CTQIIAAMSA-N
MW146.19 g/mol
LogP-1.97
Rot. Bonds

About (3S)-5-amino-2-methylpiperidine-3,4-diol

(3S)-5-amino-2-methylpiperidine-3,4-diol (PubChem CID 59928049) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is (3S)-5-amino-2-methylpiperidine-3,4-diol.

Molecular Properties

Compound Name(3S)-5-amino-2-methylpiperidine-3,4-diol
PubChem CID59928049
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Name(3S)-5-amino-2-methylpiperidine-3,4-diol
SMILESCC1NCC(N)C(O)[C@H]1O
InChIInChI=1S/C6H14N2O2/c1-3-5(9)6(10)4(7)2-8-3/h3-6,8-10H,2,7H2,1H3/t3?,4?,5-,6?/m0/s1
InChIKeyVFPDCZWEJWKYSV-CTQIIAAMSA-N
XLogP-1.97
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-1.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R,4S,5S)-2-methylpiperidine-3,4,5-triol
CID 10888061
(2S,3R,4S,5S)-2-methylpiperidine-3,4,5-triol
CID 55300795
(2S,3R,4R,5S,6R)-6-amino-2-(hydroxymethyl)azepane-3,4,5-triol
CID 11469580
(3R,4S,5R)-4-methoxy-5-methylpyrrolidin-3-amine
CID 175818175
(2R,3S)-2-methylazetidin-3-ol;hydrochloride
CID 134691791
(3R)-4-hydroxy-5-methylpyrrolidine-3-carboxylic acid
CID 18660153
(2S,3R,4S)-4-amino-3-hydroxypyrrolidine-2-carboxylic acid
CID 11744767
(3R,4S,5R,6R)-6-aminoazepane-3,4,5-triol
CID 139845790
cis-(2S,3R)-4-(hydroxymethyl)cyclohexane-1,2,3-triol;methane;(2R,4R)-2-methylpiperidine-3,4,5-triol
CID 161066901
4-amino-2-tetradecylpyrrolidin-3-ol
CID 75576772
(1S)-1-[(2R,3R,4S)-4-amino-3-hydroxypyrrolidin-2-yl]ethane-1,2-diol
CID 121227015
(2R,3R)-2,5-dimethylpyrrolidine-3,4-diol
CID 163883112

Frequently Asked Questions

What is the IUPAC name of (3S)-5-amino-2-methylpiperidine-3,4-diol?
The IUPAC name of (3S)-5-amino-2-methylpiperidine-3,4-diol (CID 59928049) is (3S)-5-amino-2-methylpiperidine-3,4-diol.
What is the SMILES notation for (3S)-5-amino-2-methylpiperidine-3,4-diol?
The canonical SMILES for (3S)-5-amino-2-methylpiperidine-3,4-diol is CC1NCC(N)C(O)[C@H]1O.
What is the InChIKey of (3S)-5-amino-2-methylpiperidine-3,4-diol?
The InChIKey is VFPDCZWEJWKYSV-CTQIIAAMSA-N. The full InChI is InChI=1S/C6H14N2O2/c1-3-5(9)6(10)4(7)2-8-3/h3-6,8-10H,2,7H2,1H3/t3?,4?,5-,6?/m0/s1.
What are the key properties of (3S)-5-amino-2-methylpiperidine-3,4-diol?
(3S)-5-amino-2-methylpiperidine-3,4-diol has a molecular weight of 146.19 g/mol, XLogP of -1.97, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-amino-2-methylpiperidine-3,4-diol is sourced from PubChem (CID 59928049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).