3-[[(2S)-1-hydroxypropan-2-yl]amino]-N,N-dimethylbutanamide

C9H20N2O2 — CID 103789069

IUPAC3-[[(2S)-1-hydroxypropan-2-yl]amino]-N,N-dimethylbutanamide
SMILESCC(CC(=O)N(C)C)N[C@@H](C)CO
InChIInChI=1S/C9H20N2O2/c1-7(10-8(2)6-12)5-9(13)11(3)4/h7-8,10,12H,5-6H2,1-4H3/t7?,8-/m0/s1
InChIKeyYHYFSOMCJIXQDE-MQWKRIRWSA-N
MW188.27 g/mol
LogP-0.18
Rot. Bonds5

About 3-[[(2S)-1-hydroxypropan-2-yl]amino]-N,N-dimethylbutanamide

3-[[(2S)-1-hydroxypropan-2-yl]amino]-N,N-dimethylbutanamide (PubChem CID 103789069) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-[[(2S)-1-hydroxypropan-2-yl]amino]-N,N-dimethylbutanamide.

Molecular Properties

Compound Name3-[[(2S)-1-hydroxypropan-2-yl]amino]-N,N-dimethylbutanamide
PubChem CID103789069
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name3-[[(2S)-1-hydroxypropan-2-yl]amino]-N,N-dimethylbutanamide
SMILESCC(CC(=O)N(C)C)N[C@@H](C)CO
InChIInChI=1S/C9H20N2O2/c1-7(10-8(2)6-12)5-9(13)11(3)4/h7-8,10,12H,5-6H2,1-4H3/t7?,8-/m0/s1
InChIKeyYHYFSOMCJIXQDE-MQWKRIRWSA-N
XLogP-0.18
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-hydroxybutan-2-ylamino)-N,N-dimethylbutanamide
CID 110878963
3-(1-cyclopropylpropan-2-ylamino)-N,N-dimethylbutanamide
CID 115719724
3-[[(2R)-2-hydroxypropyl]amino]-N,N-dimethylbutanamide
CID 103906702
3,4-dihydroxy-N,N-dimethylbutanamide
CID 21025486
3-(6-hydroxyhexylamino)-N,N-dimethylbutanamide
CID 115906805
3-(3-ethylpentan-3-ylamino)-N,N-dimethylbutanamide
CID 115920632
tert-butyl 3-(1-hydroxypropan-2-ylamino)butanoate
CID 110012338
3-[[1-(hydroxymethyl)cyclobutyl]amino]-N,N-dimethylbutanamide
CID 115928006
2-(butan-2-ylamino)-N',N'-dimethylbutanediamide
CID 66431267
3-(cyclopent-3-en-1-ylamino)-N,N-dimethylbutanamide
CID 115728485
5-(dimethylamino)-N,N,3-trimethyl-5-sulfanylidenepentanamide
CID 12500633
(3R)-N,N-dimethyl-3-[[(1S)-1-(4-pyridin-4-ylphenyl)ethyl]amino]butanamide
CID 97323209

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-1-hydroxypropan-2-yl]amino]-N,N-dimethylbutanamide?
The IUPAC name of 3-[[(2S)-1-hydroxypropan-2-yl]amino]-N,N-dimethylbutanamide (CID 103789069) is 3-[[(2S)-1-hydroxypropan-2-yl]amino]-N,N-dimethylbutanamide.
What is the SMILES notation for 3-[[(2S)-1-hydroxypropan-2-yl]amino]-N,N-dimethylbutanamide?
The canonical SMILES for 3-[[(2S)-1-hydroxypropan-2-yl]amino]-N,N-dimethylbutanamide is CC(CC(=O)N(C)C)N[C@@H](C)CO.
What is the InChIKey of 3-[[(2S)-1-hydroxypropan-2-yl]amino]-N,N-dimethylbutanamide?
The InChIKey is YHYFSOMCJIXQDE-MQWKRIRWSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-7(10-8(2)6-12)5-9(13)11(3)4/h7-8,10,12H,5-6H2,1-4H3/t7?,8-/m0/s1.
What are the key properties of 3-[[(2S)-1-hydroxypropan-2-yl]amino]-N,N-dimethylbutanamide?
3-[[(2S)-1-hydroxypropan-2-yl]amino]-N,N-dimethylbutanamide has a molecular weight of 188.27 g/mol, XLogP of -0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-1-hydroxypropan-2-yl]amino]-N,N-dimethylbutanamide is sourced from PubChem (CID 103789069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).