(2S)-2-hydroxy-N-methylbutanediamide

C5H10N2O3 — CID 140985297

IUPAC(2S)-2-hydroxy-N-methylbutanediamide
SMILESCNC(=O)[C@@H](O)CC(N)=O
InChIInChI=1S/C5H10N2O3/c1-7-5(10)3(8)2-4(6)9/h3,8H,2H2,1H3,(H2,6,9)(H,7,10)/t3-/m0/s1
InChIKeyCZHQHZPJYOAOPP-VKHMYHEASA-N
MW146.15 g/mol
LogP-2.03
Rot. Bonds3

About (2S)-2-hydroxy-N-methylbutanediamide

(2S)-2-hydroxy-N-methylbutanediamide (PubChem CID 140985297) has the molecular formula C5H10N2O3 and a molecular weight of 146.15 g/mol. Its IUPAC name is (2S)-2-hydroxy-N-methylbutanediamide.

Molecular Properties

Compound Name(2S)-2-hydroxy-N-methylbutanediamide
PubChem CID140985297
Molecular FormulaC5H10N2O3
Molecular Weight146.15 g/mol
Exact Mass146.07
IUPAC Name(2S)-2-hydroxy-N-methylbutanediamide
SMILESCNC(=O)[C@@H](O)CC(N)=O
InChIInChI=1S/C5H10N2O3/c1-7-5(10)3(8)2-4(6)9/h3,8H,2H2,1H3,(H2,6,9)(H,7,10)/t3-/m0/s1
InChIKeyCZHQHZPJYOAOPP-VKHMYHEASA-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 (2S)-2-hydroxy-N-methylbutanediamide?
The IUPAC name of (2S)-2-hydroxy-N-methylbutanediamide (CID 140985297) is (2S)-2-hydroxy-N-methylbutanediamide.
What is the SMILES notation for (2S)-2-hydroxy-N-methylbutanediamide?
The canonical SMILES for (2S)-2-hydroxy-N-methylbutanediamide is CNC(=O)[C@@H](O)CC(N)=O.
What is the InChIKey of (2S)-2-hydroxy-N-methylbutanediamide?
The InChIKey is CZHQHZPJYOAOPP-VKHMYHEASA-N. The full InChI is InChI=1S/C5H10N2O3/c1-7-5(10)3(8)2-4(6)9/h3,8H,2H2,1H3,(H2,6,9)(H,7,10)/t3-/m0/s1.
What are the key properties of (2S)-2-hydroxy-N-methylbutanediamide?
(2S)-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 (2S)-2-hydroxy-N-methylbutanediamide is sourced from PubChem (CID 140985297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).