3,4-dihydroxy-N,N-dimethylbutanamide

C6H13NO3 — CID 21025486

IUPAC3,4-dihydroxy-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CC(O)CO
InChIInChI=1S/C6H13NO3/c1-7(2)6(10)3-5(9)4-8/h5,8-9H,3-4H2,1-2H3
InChIKeyPWOOGLMJAWKADO-UHFFFAOYSA-N
MW147.17 g/mol
LogP-1.18
Rot. Bonds3

About 3,4-dihydroxy-N,N-dimethylbutanamide

3,4-dihydroxy-N,N-dimethylbutanamide (PubChem CID 21025486) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is 3,4-dihydroxy-N,N-dimethylbutanamide.

Molecular Properties

Compound Name3,4-dihydroxy-N,N-dimethylbutanamide
PubChem CID21025486
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name3,4-dihydroxy-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CC(O)CO
InChIInChI=1S/C6H13NO3/c1-7(2)6(10)3-5(9)4-8/h5,8-9H,3-4H2,1-2H3
InChIKeyPWOOGLMJAWKADO-UHFFFAOYSA-N
XLogP-1.18
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,5R)-3,5-dihydroxy-N',N'-dimethylheptanediamide
CID 87632154
2-(2,3-dihydroxypropylamino)-N,N-dimethylacetamide
CID 60901605
3-[[(2S)-1-hydroxypropan-2-yl]amino]-N,N-dimethylbutanamide
CID 103789069
(3R)-3-hydroxy-N,N,4,4-tetramethylpentanamide
CID 13197450
(3R,5S)-3,5,6-trihydroxy-N,N-di(propan-2-yl)hexanamide
CID 89227447
(3S)-N-[1-(dimethylamino)ethyl]-3,4-dihydroxybutanamide
CID 87957366
5-ethyl-3-hydroxy-N,N-dimethylnonanamide
CID 175454513
(6S)-6,7-dihydroxyheptane-3,4-dione
CID 58618706
4,5-dihydroxypentan-2-one;ethane-1,2-diol;propan-2-one
CID 87707653
4-amino-N,N,3-trimethylpentanamide
CID 102537836
3-(1-hydroxybutan-2-ylamino)-N,N-dimethylbutanamide
CID 110878963
3-[[(2R)-2-hydroxypropyl]amino]-N,N-dimethylbutanamide
CID 103906702

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-N,N-dimethylbutanamide?
The IUPAC name of 3,4-dihydroxy-N,N-dimethylbutanamide (CID 21025486) is 3,4-dihydroxy-N,N-dimethylbutanamide.
What is the SMILES notation for 3,4-dihydroxy-N,N-dimethylbutanamide?
The canonical SMILES for 3,4-dihydroxy-N,N-dimethylbutanamide is CN(C)C(=O)CC(O)CO.
What is the InChIKey of 3,4-dihydroxy-N,N-dimethylbutanamide?
The InChIKey is PWOOGLMJAWKADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-7(2)6(10)3-5(9)4-8/h5,8-9H,3-4H2,1-2H3.
What are the key properties of 3,4-dihydroxy-N,N-dimethylbutanamide?
3,4-dihydroxy-N,N-dimethylbutanamide has a molecular weight of 147.17 g/mol, XLogP of -1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-N,N-dimethylbutanamide is sourced from PubChem (CID 21025486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).