4-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]-2-hydroxybutanoic acid

C10H19NO6 — CID 16107

IUPAC4-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]-2-hydroxybutanoic acid
SMILESCC(C)(CO)C(O)C(=O)NCCC(O)C(=O)O
InChIInChI=1S/C10H19NO6/c1-10(2,5-12)7(14)8(15)11-4-3-6(13)9(16)17/h6-7,12-14H,3-5H2,1-2H3,(H,11,15)(H,16,17)
InChIKeyCQIICLVXMYVSMR-UHFFFAOYSA-N
MW249.26 g/mol
LogP-1.68
Rot. Bonds7

About 4-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]-2-hydroxybutanoic acid

4-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]-2-hydroxybutanoic acid (PubChem CID 16107) has the molecular formula C10H19NO6 and a molecular weight of 249.26 g/mol. Its IUPAC name is 4-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name4-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]-2-hydroxybutanoic acid
PubChem CID16107
Molecular FormulaC10H19NO6
Molecular Weight249.26 g/mol
Exact Mass249.12
IUPAC Name4-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]-2-hydroxybutanoic acid
SMILESCC(C)(CO)C(O)C(=O)NCCC(O)C(=O)O
InChIInChI=1S/C10H19NO6/c1-10(2,5-12)7(14)8(15)11-4-3-6(13)9(16)17/h6-7,12-14H,3-5H2,1-2H3,(H,11,15)(H,16,17)
InChIKeyCQIICLVXMYVSMR-UHFFFAOYSA-N
XLogP-1.68
TPSA127.09 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 5-1.68
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,3-dihydroxypropyl)-2,4-dihydroxy-3,3-dimethylbutanamide
CID 142091533
3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl](15N)amino](313C)propanoic acid
CID 101257666
3-[[(2S)-2,4-dihydroxy-3,3-dimethylbutanoyl](15N)amino](1,2,3-13C3)propanoic acid
CID 170898855
(2R)-N-(3-dimethylsilyl-3-hydroxypropyl)-2,4-dihydroxy-3,3-dimethylbutanamide
CID 154344563
3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid;gold
CID 176912960
3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid;hydrochloride
CID 155803311
3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoic acid;phosphane
CID 174763260
CID 172837539
CID 172837539
N-(3-ethyl-4-oxopentyl)-2,4-dihydroxy-3,3-dimethylbutanamide
CID 54227933
sodium;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid;hydride
CID 172998146
acetic acid;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid
CID 129285625
tricalcium;bis(3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoic acid);bis(oxygen(2-))
CID 173212028

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]-2-hydroxybutanoic acid?
The IUPAC name of 4-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]-2-hydroxybutanoic acid (CID 16107) is 4-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]-2-hydroxybutanoic acid.
What is the SMILES notation for 4-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]-2-hydroxybutanoic acid?
The canonical SMILES for 4-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]-2-hydroxybutanoic acid is CC(C)(CO)C(O)C(=O)NCCC(O)C(=O)O.
What is the InChIKey of 4-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]-2-hydroxybutanoic acid?
The InChIKey is CQIICLVXMYVSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO6/c1-10(2,5-12)7(14)8(15)11-4-3-6(13)9(16)17/h6-7,12-14H,3-5H2,1-2H3,(H,11,15)(H,16,17).
What are the key properties of 4-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]-2-hydroxybutanoic acid?
4-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]-2-hydroxybutanoic acid has a molecular weight of 249.26 g/mol, XLogP of -1.68, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]-2-hydroxybutanoic acid is sourced from PubChem (CID 16107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).