6-(2,2-dimethylpropanoylamino)-3,5-dihydroxyhexanoic acid

C11H21NO5 — CID 123706395

IUPAC6-(2,2-dimethylpropanoylamino)-3,5-dihydroxyhexanoic acid
SMILESCC(C)(C)C(=O)NCC(O)CC(O)CC(=O)O
InChIInChI=1S/C11H21NO5/c1-11(2,3)10(17)12-6-8(14)4-7(13)5-9(15)16/h7-8,13-14H,4-6H2,1-3H3,(H,12,17)(H,15,16)
InChIKeyJHVHCNVGAKYYLU-UHFFFAOYSA-N
MW247.29 g/mol
LogP-0.26
Rot. Bonds6

About 6-(2,2-dimethylpropanoylamino)-3,5-dihydroxyhexanoic acid

6-(2,2-dimethylpropanoylamino)-3,5-dihydroxyhexanoic acid (PubChem CID 123706395) has the molecular formula C11H21NO5 and a molecular weight of 247.29 g/mol. Its IUPAC name is 6-(2,2-dimethylpropanoylamino)-3,5-dihydroxyhexanoic acid.

Molecular Properties

Compound Name6-(2,2-dimethylpropanoylamino)-3,5-dihydroxyhexanoic acid
PubChem CID123706395
Molecular FormulaC11H21NO5
Molecular Weight247.29 g/mol
Exact Mass247.14
IUPAC Name6-(2,2-dimethylpropanoylamino)-3,5-dihydroxyhexanoic acid
SMILESCC(C)(C)C(=O)NCC(O)CC(O)CC(=O)O
InChIInChI=1S/C11H21NO5/c1-11(2,3)10(17)12-6-8(14)4-7(13)5-9(15)16/h7-8,13-14H,4-6H2,1-3H3,(H,12,17)(H,15,16)
InChIKeyJHVHCNVGAKYYLU-UHFFFAOYSA-N
XLogP-0.26
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 5-0.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,2-dimethylpropanoylamino)-2-hydroxypropanoic acid
CID 66166212
N-[3-[(2-hydroxy-4-methylpentyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 103771590
2-(ethylamino)-N-(2-hydroxy-4-methylpentyl)-2-methylpropanamide
CID 107152947
3-[[[2-(2,2-dimethylpropanoylamino)acetyl]amino]methyl]-5-methylhexanoic acid
CID 65493920
2-[(2,2-dimethylpropanoylamino)methyl]-4,4-dimethylpentanoic acid
CID 107473759
2,2-dimethyl-N-[(2S)-2,4,4-trimethyl-3-oxopentyl]propanamide
CID 166979510
(3S)-3-hydroxy-4-(propan-2-ylamino)butanoic acid
CID 134164837
3-amino-N-(2,3-dihydroxypropyl)-2,2,3-trimethylbutanamide
CID 66170383
4-hydroxy-1-methylpentane-1,2,5-tricarboxylic acid
CID 91358739
3-[[3-(2,2-dimethylpropanoylamino)propanoylamino]methyl]pentanoic acid
CID 81065507
5-[(2-hydroxy-4-methylpentyl)amino]-3,3-dimethyl-5-oxopentanoic acid
CID 107151222
N-(2-amino-4,4-dimethylpentyl)-2,2-dimethylpropanamide
CID 107158412

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-dimethylpropanoylamino)-3,5-dihydroxyhexanoic acid?
The IUPAC name of 6-(2,2-dimethylpropanoylamino)-3,5-dihydroxyhexanoic acid (CID 123706395) is 6-(2,2-dimethylpropanoylamino)-3,5-dihydroxyhexanoic acid.
What is the SMILES notation for 6-(2,2-dimethylpropanoylamino)-3,5-dihydroxyhexanoic acid?
The canonical SMILES for 6-(2,2-dimethylpropanoylamino)-3,5-dihydroxyhexanoic acid is CC(C)(C)C(=O)NCC(O)CC(O)CC(=O)O.
What is the InChIKey of 6-(2,2-dimethylpropanoylamino)-3,5-dihydroxyhexanoic acid?
The InChIKey is JHVHCNVGAKYYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO5/c1-11(2,3)10(17)12-6-8(14)4-7(13)5-9(15)16/h7-8,13-14H,4-6H2,1-3H3,(H,12,17)(H,15,16).
What are the key properties of 6-(2,2-dimethylpropanoylamino)-3,5-dihydroxyhexanoic acid?
6-(2,2-dimethylpropanoylamino)-3,5-dihydroxyhexanoic acid has a molecular weight of 247.29 g/mol, XLogP of -0.26, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dimethylpropanoylamino)-3,5-dihydroxyhexanoic acid is sourced from PubChem (CID 123706395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).