(3S)-3-(dimethylamino)-2-hydroxy-N-methylbutanamide;molecular hydrogen

C7H18N2O2 — CID 157267399

IUPAC(3S)-3-(dimethylamino)-2-hydroxy-N-methylbutanamide;molecular hydrogen
SMILESCNC(=O)C(O)[C@H](C)N(C)C.[H][H]
InChIInChI=1S/C7H16N2O2.H2/c1-5(9(3)4)6(10)7(11)8-2;/h5-6,10H,1-4H3,(H,8,11);1H/t5-,6?;/m0./s1
InChIKeyAYDROGGUIWLTKL-GNVLWMSISA-N
MW162.23 g/mol
LogP-0.71
Rot. Bonds3

About (3S)-3-(dimethylamino)-2-hydroxy-N-methylbutanamide;molecular hydrogen

(3S)-3-(dimethylamino)-2-hydroxy-N-methylbutanamide;molecular hydrogen (PubChem CID 157267399) has the molecular formula C7H18N2O2 and a molecular weight of 162.23 g/mol. Its IUPAC name is (3S)-3-(dimethylamino)-2-hydroxy-N-methylbutanamide;molecular hydrogen.

Molecular Properties

Compound Name(3S)-3-(dimethylamino)-2-hydroxy-N-methylbutanamide;molecular hydrogen
PubChem CID157267399
Molecular FormulaC7H18N2O2
Molecular Weight162.23 g/mol
Exact Mass162.14
IUPAC Name(3S)-3-(dimethylamino)-2-hydroxy-N-methylbutanamide;molecular hydrogen
SMILESCNC(=O)C(O)[C@H](C)N(C)C.[H][H]
InChIInChI=1S/C7H16N2O2.H2/c1-5(9(3)4)6(10)7(11)8-2;/h5-6,10H,1-4H3,(H,8,11);1H/t5-,6?;/m0./s1
InChIKeyAYDROGGUIWLTKL-GNVLWMSISA-N
XLogP-0.71
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydroxy-N,N'-dimethylbutanediamide
CID 5168238
(2R,4R)-2,3,4-trihydroxy-N,N'-dimethylpentanediamide
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(2R,3R)-2,3-dihydroxy-N-methyl-N'-propan-2-ylbutanediamide
CID 89095447
2,3-dihydroxy-4-(methylamino)-4-oxobutanoic acid
CID 59089626
[(2S,3S)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]azanium
CID 6990631
2-amino-3-hydroxy-N-methylbutanamide;ethane
CID 155713767
(2R,3S,4S,5S)-2,3,4,5-tetrahydroxy-N-methyl-6-oxoheptanamide
CID 59866873
(2R)-N-methyl-2-[methyl-[2-[methyl-[(2R)-1-(methylamino)-1-oxopropan-2-yl]amino]ethyl]amino]propanamide
CID 101497284
(2S)-2-acetamido-3-hydroxy-N-methylbutanamide
CID 130699535
acetic acid;2-amino-N-methylpropanamide
CID 71335706
(2R)-2-chloro-N-methylpropanamide
CID 7130812
2-[carboxymethyl-[1-(methylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 63646159

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(dimethylamino)-2-hydroxy-N-methylbutanamide;molecular hydrogen?
The IUPAC name of (3S)-3-(dimethylamino)-2-hydroxy-N-methylbutanamide;molecular hydrogen (CID 157267399) is (3S)-3-(dimethylamino)-2-hydroxy-N-methylbutanamide;molecular hydrogen.
What is the SMILES notation for (3S)-3-(dimethylamino)-2-hydroxy-N-methylbutanamide;molecular hydrogen?
The canonical SMILES for (3S)-3-(dimethylamino)-2-hydroxy-N-methylbutanamide;molecular hydrogen is CNC(=O)C(O)[C@H](C)N(C)C.[H][H].
What is the InChIKey of (3S)-3-(dimethylamino)-2-hydroxy-N-methylbutanamide;molecular hydrogen?
The InChIKey is AYDROGGUIWLTKL-GNVLWMSISA-N. The full InChI is InChI=1S/C7H16N2O2.H2/c1-5(9(3)4)6(10)7(11)8-2;/h5-6,10H,1-4H3,(H,8,11);1H/t5-,6?;/m0./s1.
What are the key properties of (3S)-3-(dimethylamino)-2-hydroxy-N-methylbutanamide;molecular hydrogen?
(3S)-3-(dimethylamino)-2-hydroxy-N-methylbutanamide;molecular hydrogen has a molecular weight of 162.23 g/mol, XLogP of -0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(dimethylamino)-2-hydroxy-N-methylbutanamide;molecular hydrogen is sourced from PubChem (CID 157267399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).