(2S)-2-hydroxy-N',2-dimethylbutanediamide

C6H12N2O3 — CID 173099192

IUPAC(2S)-2-hydroxy-N',2-dimethylbutanediamide
SMILESCNC(=O)C[C@](C)(O)C(N)=O
InChIInChI=1S/C6H12N2O3/c1-6(11,5(7)10)3-4(9)8-2/h11H,3H2,1-2H3,(H2,7,10)(H,8,9)/t6-/m0/s1
InChIKeyVHBCYVPRMANJSB-LURJTMIESA-N
MW160.17 g/mol
LogP-1.64
Rot. Bonds3

About (2S)-2-hydroxy-N',2-dimethylbutanediamide

(2S)-2-hydroxy-N',2-dimethylbutanediamide (PubChem CID 173099192) has the molecular formula C6H12N2O3 and a molecular weight of 160.17 g/mol. Its IUPAC name is (2S)-2-hydroxy-N',2-dimethylbutanediamide.

Molecular Properties

Compound Name(2S)-2-hydroxy-N',2-dimethylbutanediamide
PubChem CID173099192
Molecular FormulaC6H12N2O3
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Name(2S)-2-hydroxy-N',2-dimethylbutanediamide
SMILESCNC(=O)C[C@](C)(O)C(N)=O
InChIInChI=1S/C6H12N2O3/c1-6(11,5(7)10)3-4(9)8-2/h11H,3H2,1-2H3,(H2,7,10)(H,8,9)/t6-/m0/s1
InChIKeyVHBCYVPRMANJSB-LURJTMIESA-N
XLogP-1.64
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-1.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-2-hydroxy-N',2-dimethylbutanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 101987646
CID 101987646
CID 22673426
CID 22673426
CID 55286578
CID 55286578
CID 101987645
CID 101987645
CID 129172569
CID 129172569
CID 130010779
CID 130010779
CID 140985273
CID 140985273
CID 140985297
CID 140985297
CID 84107087
CID 84107087

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-N',2-dimethylbutanediamide?
The IUPAC name of (2S)-2-hydroxy-N',2-dimethylbutanediamide (CID 173099192) is (2S)-2-hydroxy-N',2-dimethylbutanediamide.
What is the SMILES notation for (2S)-2-hydroxy-N',2-dimethylbutanediamide?
The canonical SMILES for (2S)-2-hydroxy-N',2-dimethylbutanediamide is CNC(=O)C[C@](C)(O)C(N)=O.
What is the InChIKey of (2S)-2-hydroxy-N',2-dimethylbutanediamide?
The InChIKey is VHBCYVPRMANJSB-LURJTMIESA-N. The full InChI is InChI=1S/C6H12N2O3/c1-6(11,5(7)10)3-4(9)8-2/h11H,3H2,1-2H3,(H2,7,10)(H,8,9)/t6-/m0/s1.
What are the key properties of (2S)-2-hydroxy-N',2-dimethylbutanediamide?
(2S)-2-hydroxy-N',2-dimethylbutanediamide has a molecular weight of 160.17 g/mol, XLogP of -1.64, 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',2-dimethylbutanediamide is sourced from PubChem (CID 173099192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).