2-hydroxy-N'-methylbutanediamide

C5H10N2O3 — CID 129172569

IUPAC2-hydroxy-N'-methylbutanediamide
SMILESCNC(=O)CC(O)C(N)=O
InChIInChI=1S/C5H10N2O3/c1-7-4(9)2-3(8)5(6)10/h3,8H,2H2,1H3,(H2,6,10)(H,7,9)
InChIKeyAFNFTEAHFDHSIZ-UHFFFAOYSA-N
MW146.15 g/mol
LogP-2.03
Rot. Bonds3

About 2-hydroxy-N'-methylbutanediamide

2-hydroxy-N'-methylbutanediamide (PubChem CID 129172569) has the molecular formula C5H10N2O3 and a molecular weight of 146.15 g/mol. Its IUPAC name is 2-hydroxy-N'-methylbutanediamide.

Molecular Properties

Compound Name2-hydroxy-N'-methylbutanediamide
PubChem CID129172569
Molecular FormulaC5H10N2O3
Molecular Weight146.15 g/mol
Exact Mass146.07
IUPAC Name2-hydroxy-N'-methylbutanediamide
SMILESCNC(=O)CC(O)C(N)=O
InChIInChI=1S/C5H10N2O3/c1-7-4(9)2-3(8)5(6)10/h3,8H,2H2,1H3,(H2,6,10)(H,7,9)
InChIKeyAFNFTEAHFDHSIZ-UHFFFAOYSA-N
XLogP-2.03
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 5-2.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N'-methylbutanediamide?
The IUPAC name of 2-hydroxy-N'-methylbutanediamide (CID 129172569) is 2-hydroxy-N'-methylbutanediamide.
What is the SMILES notation for 2-hydroxy-N'-methylbutanediamide?
The canonical SMILES for 2-hydroxy-N'-methylbutanediamide is CNC(=O)CC(O)C(N)=O.
What is the InChIKey of 2-hydroxy-N'-methylbutanediamide?
The InChIKey is AFNFTEAHFDHSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O3/c1-7-4(9)2-3(8)5(6)10/h3,8H,2H2,1H3,(H2,6,10)(H,7,9).
What are the key properties of 2-hydroxy-N'-methylbutanediamide?
2-hydroxy-N'-methylbutanediamide has a molecular weight of 146.15 g/mol, XLogP of -2.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N'-methylbutanediamide is sourced from PubChem (CID 129172569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).