2-amino-4-hydroxy-3,3-dimethylbutanoic acid;2,6-dihydroxyhexanoic acid

C12H25NO7 — CID 174310964

IUPAC2-amino-4-hydroxy-3,3-dimethylbutanoic acid;2,6-dihydroxyhexanoic acid
SMILESCC(C)(CO)C(N)C(=O)O.O=C(O)C(O)CCCCO
InChIInChI=1S/C6H13NO3.C6H12O4/c1-6(2,3-8)4(7)5(9)10;7-4-2-1-3-5(8)6(9)10/h4,8H,3,7H2,1-2H3,(H,9,10);5,7-8H,1-4H2,(H,9,10)
InChIKeyPFOZKYDIQMISSS-UHFFFAOYSA-N
MW295.33 g/mol
LogP-0.99
Rot. Bonds8

About 2-amino-4-hydroxy-3,3-dimethylbutanoic acid;2,6-dihydroxyhexanoic acid

2-amino-4-hydroxy-3,3-dimethylbutanoic acid;2,6-dihydroxyhexanoic acid (PubChem CID 174310964) has the molecular formula C12H25NO7 and a molecular weight of 295.33 g/mol. Its IUPAC name is 2-amino-4-hydroxy-3,3-dimethylbutanoic acid;2,6-dihydroxyhexanoic acid.

Molecular Properties

Compound Name2-amino-4-hydroxy-3,3-dimethylbutanoic acid;2,6-dihydroxyhexanoic acid
PubChem CID174310964
Molecular FormulaC12H25NO7
Molecular Weight295.33 g/mol
Exact Mass295.16
IUPAC Name2-amino-4-hydroxy-3,3-dimethylbutanoic acid;2,6-dihydroxyhexanoic acid
SMILESCC(C)(CO)C(N)C(=O)O.O=C(O)C(O)CCCCO
InChIInChI=1S/C6H13NO3.C6H12O4/c1-6(2,3-8)4(7)5(9)10;7-4-2-1-3-5(8)6(9)10/h4,8H,3,7H2,1-2H3,(H,9,10);5,7-8H,1-4H2,(H,9,10)
InChIKeyPFOZKYDIQMISSS-UHFFFAOYSA-N
XLogP-0.99
TPSA161.31 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.33
LogP ≤ 5-0.99
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-hydroxy-3,3-dimethylbutanoic acid;2-hydroxyhexanedioic acid
CID 174307354
2-amino-4-hydroxy-3,3-dimethylbutanoic acid;2-hydroxypropanoic acid
CID 174434996
2,10-dihydroxydecanoic acid
CID 23158566
2,18-dihydroxyoctadecanoic acid;sulfuric acid
CID 175211689
2,5,16-trihydroxyhexadecanoic acid
CID 19591822
2,15,15-trihydroxyhexadecanoic acid
CID 145010859
4-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]-2-hydroxybutanoic acid
CID 16107
2-hydroxyheptanoic acid
CID 2750949
(2R)-2-amino-6-hydroxyhexanoic acid
CID 5288041
6-amino-2-hydroxyhexanoic acid
CID 517029
2-amino-4-hydroxy-3,3-dimethylbutanoic acid;2-phenylpropanoic acid
CID 159816827
(2S)-2-amino-3-(6-hydroxyhexylsulfanyl)-3-methylbutanoic acid
CID 106443145

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-hydroxy-3,3-dimethylbutanoic acid;2,6-dihydroxyhexanoic acid?
The IUPAC name of 2-amino-4-hydroxy-3,3-dimethylbutanoic acid;2,6-dihydroxyhexanoic acid (CID 174310964) is 2-amino-4-hydroxy-3,3-dimethylbutanoic acid;2,6-dihydroxyhexanoic acid.
What is the SMILES notation for 2-amino-4-hydroxy-3,3-dimethylbutanoic acid;2,6-dihydroxyhexanoic acid?
The canonical SMILES for 2-amino-4-hydroxy-3,3-dimethylbutanoic acid;2,6-dihydroxyhexanoic acid is CC(C)(CO)C(N)C(=O)O.O=C(O)C(O)CCCCO.
What is the InChIKey of 2-amino-4-hydroxy-3,3-dimethylbutanoic acid;2,6-dihydroxyhexanoic acid?
The InChIKey is PFOZKYDIQMISSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3.C6H12O4/c1-6(2,3-8)4(7)5(9)10;7-4-2-1-3-5(8)6(9)10/h4,8H,3,7H2,1-2H3,(H,9,10);5,7-8H,1-4H2,(H,9,10).
What are the key properties of 2-amino-4-hydroxy-3,3-dimethylbutanoic acid;2,6-dihydroxyhexanoic acid?
2-amino-4-hydroxy-3,3-dimethylbutanoic acid;2,6-dihydroxyhexanoic acid has a molecular weight of 295.33 g/mol, XLogP of -0.99, 8 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-hydroxy-3,3-dimethylbutanoic acid;2,6-dihydroxyhexanoic acid is sourced from PubChem (CID 174310964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).