(2S)-2-amino-3-methylbutane-1,3-diol

C5H13NO2 — CID 15780959

IUPAC(2S)-2-amino-3-methylbutane-1,3-diol
SMILESCC(C)(O)[C@@H](N)CO
InChIInChI=1S/C5H13NO2/c1-5(2,8)4(6)3-7/h4,7-8H,3,6H2,1-2H3/t4-/m0/s1
InChIKeyDTIASTFIVFSLOV-BYPYZUCNSA-N
MW119.16 g/mol
LogP-0.92
Rot. Bonds2

About (2S)-2-amino-3-methylbutane-1,3-diol

(2S)-2-amino-3-methylbutane-1,3-diol (PubChem CID 15780959) has the molecular formula C5H13NO2 and a molecular weight of 119.16 g/mol. Its IUPAC name is (2S)-2-amino-3-methylbutane-1,3-diol.

Molecular Properties

Compound Name(2S)-2-amino-3-methylbutane-1,3-diol
PubChem CID15780959
Molecular FormulaC5H13NO2
Molecular Weight119.16 g/mol
Exact Mass119.09
IUPAC Name(2S)-2-amino-3-methylbutane-1,3-diol
SMILESCC(C)(O)[C@@H](N)CO
InChIInChI=1S/C5H13NO2/c1-5(2,8)4(6)3-7/h4,7-8H,3,6H2,1-2H3/t4-/m0/s1
InChIKeyDTIASTFIVFSLOV-BYPYZUCNSA-N
XLogP-0.92
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.16
LogP ≤ 5-0.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 58522169
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(2R,3R)-2-amino-3-methylpent-4-yne-1,3-diol
CID 55290183
2-amino-3,3-difluorobutan-1-ol;ethane
CID 170584930
(3S)-3-amino-4-cyclopropyl-2-methylbutan-2-ol
CID 86674766
(2S)-2-amino-3-methyloctadecane-1,3-diol
CID 11370484
3-amino-2-methyl-5-methylsulfanylhexan-2-ol
CID 134285920
2-amino-3-(trifluoromethyl)pentane-1,3-diol;hydrochloride
CID 174612782
3-amino-6,6,7,7,7-pentafluoro-2-methylheptan-2-ol
CID 90119324
2,4-dimethylpentane-2,3,4-triol;propane-1,2,3-triol
CID 161347790
(2R)-2-amino-5-methylhexane-1,5-diol
CID 163243365

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methylbutane-1,3-diol?
The IUPAC name of (2S)-2-amino-3-methylbutane-1,3-diol (CID 15780959) is (2S)-2-amino-3-methylbutane-1,3-diol.
What is the SMILES notation for (2S)-2-amino-3-methylbutane-1,3-diol?
The canonical SMILES for (2S)-2-amino-3-methylbutane-1,3-diol is CC(C)(O)[C@@H](N)CO.
What is the InChIKey of (2S)-2-amino-3-methylbutane-1,3-diol?
The InChIKey is DTIASTFIVFSLOV-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H13NO2/c1-5(2,8)4(6)3-7/h4,7-8H,3,6H2,1-2H3/t4-/m0/s1.
What are the key properties of (2S)-2-amino-3-methylbutane-1,3-diol?
(2S)-2-amino-3-methylbutane-1,3-diol has a molecular weight of 119.16 g/mol, XLogP of -0.92, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methylbutane-1,3-diol is sourced from PubChem (CID 15780959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).