2-amino-3-hydroxy-N-methylbutanamide;ethane

C7H18N2O2 — CID 155713767

IUPAC2-amino-3-hydroxy-N-methylbutanamide;ethane
SMILESCC.CNC(=O)C(N)C(C)O
InChIInChI=1S/C5H12N2O2.C2H6/c1-3(8)4(6)5(9)7-2;1-2/h3-4,8H,6H2,1-2H3,(H,7,9);1-2H3
InChIKeyBSUUXUOUIXRTED-UHFFFAOYSA-N
MW162.23 g/mol
LogP-0.53
Rot. Bonds2

About 2-amino-3-hydroxy-N-methylbutanamide;ethane

2-amino-3-hydroxy-N-methylbutanamide;ethane (PubChem CID 155713767) has the molecular formula C7H18N2O2 and a molecular weight of 162.23 g/mol. Its IUPAC name is 2-amino-3-hydroxy-N-methylbutanamide;ethane.

Molecular Properties

Compound Name2-amino-3-hydroxy-N-methylbutanamide;ethane
PubChem CID155713767
Molecular FormulaC7H18N2O2
Molecular Weight162.23 g/mol
Exact Mass162.14
IUPAC Name2-amino-3-hydroxy-N-methylbutanamide;ethane
SMILESCC.CNC(=O)C(N)C(C)O
InChIInChI=1S/C5H12N2O2.C2H6/c1-3(8)4(6)5(9)7-2;1-2/h3-4,8H,6H2,1-2H3,(H,7,9);1-2H3
InChIKeyBSUUXUOUIXRTED-UHFFFAOYSA-N
XLogP-0.53
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R)-2-amino-N-tert-butyl-3-hydroxybutanamide
CID 164800238
acetylene;2-amino-N,3-dihydroxybutanamide
CID 174483639
2,3-dihydroxy-N,N'-dimethylbutanediamide
CID 5168238
methyl (2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]propanoate
CID 57097611
2-amino-N-methyl-3-(2-methylpentoxy)butanamide;ethane
CID 166554157
(2R,4R)-2,3,4-trihydroxy-N,N'-dimethylpentanediamide
CID 102499782
(2S,3R)-2-amino-3-hydroxybutanoic acid
CID 158974218
(2R,3S)-2-amino-3-hydroxybutanamide
CID 22877840
[(2S,3S)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]azanium
CID 6990631
acetic acid;2-amino-N-methylpropanamide
CID 71335706
(2S)-2-amino-3-[(2-amino-3-hydroxybutanoyl)amino]propanoic acid
CID 155095224
(2S,3R)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoic acid
CID 11352962

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxy-N-methylbutanamide;ethane?
The IUPAC name of 2-amino-3-hydroxy-N-methylbutanamide;ethane (CID 155713767) is 2-amino-3-hydroxy-N-methylbutanamide;ethane.
What is the SMILES notation for 2-amino-3-hydroxy-N-methylbutanamide;ethane?
The canonical SMILES for 2-amino-3-hydroxy-N-methylbutanamide;ethane is CC.CNC(=O)C(N)C(C)O.
What is the InChIKey of 2-amino-3-hydroxy-N-methylbutanamide;ethane?
The InChIKey is BSUUXUOUIXRTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2.C2H6/c1-3(8)4(6)5(9)7-2;1-2/h3-4,8H,6H2,1-2H3,(H,7,9);1-2H3.
What are the key properties of 2-amino-3-hydroxy-N-methylbutanamide;ethane?
2-amino-3-hydroxy-N-methylbutanamide;ethane has a molecular weight of 162.23 g/mol, XLogP of -0.53, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxy-N-methylbutanamide;ethane is sourced from PubChem (CID 155713767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).