7-amino-4,4,5,5,6,6,7,7-octahydroxy-2-methylheptanoic acid

C8H17NO10 — CID 90908022

IUPAC7-amino-4,4,5,5,6,6,7,7-octahydroxy-2-methylheptanoic acid
SMILESCC(CC(O)(O)C(O)(O)C(O)(O)C(N)(O)O)C(=O)O
InChIInChI=1S/C8H17NO10/c1-3(4(10)11)2-5(12,13)6(14,15)7(16,17)8(9,18)19/h3,12-19H,2,9H2,1H3,(H,10,11)
InChIKeyOYOHPMUDCRNKBW-UHFFFAOYSA-N
MW287.22 g/mol
LogP-5.26
Rot. Bonds6

About 7-amino-4,4,5,5,6,6,7,7-octahydroxy-2-methylheptanoic acid

7-amino-4,4,5,5,6,6,7,7-octahydroxy-2-methylheptanoic acid (PubChem CID 90908022) has the molecular formula C8H17NO10 and a molecular weight of 287.22 g/mol. Its IUPAC name is 7-amino-4,4,5,5,6,6,7,7-octahydroxy-2-methylheptanoic acid.

Molecular Properties

Compound Name7-amino-4,4,5,5,6,6,7,7-octahydroxy-2-methylheptanoic acid
PubChem CID90908022
Molecular FormulaC8H17NO10
Molecular Weight287.22 g/mol
Exact Mass287.09
IUPAC Name7-amino-4,4,5,5,6,6,7,7-octahydroxy-2-methylheptanoic acid
SMILESCC(CC(O)(O)C(O)(O)C(O)(O)C(N)(O)O)C(=O)O
InChIInChI=1S/C8H17NO10/c1-3(4(10)11)2-5(12,13)6(14,15)7(16,17)8(9,18)19/h3,12-19H,2,9H2,1H3,(H,10,11)
InChIKeyOYOHPMUDCRNKBW-UHFFFAOYSA-N
XLogP-5.26
TPSA225.16 Ų
H-Bond Donors10
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.22
LogP ≤ 5-5.26
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 7-amino-4,4,5,5,6,6,7,7-octahydroxy-2-methylheptanoic acid with MolForge

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Related Compounds

4-amino-2,4-dimethylpentanoic acid
CID 20501045
(2R)-4-hydroxy-2,4-dimethylpentanoic acid
CID 168758888
2-amino-2,4-dimethylpentanedioic acid
CID 87224787
butane-1,1,1,3-tetracarboxylic acid
CID 91030692
(4R)-4-hydroxy-2,4,6-trimethylheptanoic acid
CID 122394912
(2R)-4,4-difluoro-2-methylpentanoic acid
CID 156789470
4-chloro-4,4-difluoro-2-methylbutanoic acid
CID 174293219
1-methylpentane-1,3,3-tricarboxylic acid
CID 23423170
(2S)-2-methyl-4-oxopentanoic acid
CID 10942448
5-[3-(4-carboxy-2,2-dimethylpentanoyl)oxy-2,2-bis[(4-carboxy-2,2-dimethylpentanoyl)oxymethyl]propoxy]-2,4,4-trimethyl-5-oxopentanoic acid
CID 147380792
4-(hydroxymethyl)-2,4-dimethylhexanoic acid
CID 20734605
(2S)-2,4,4-trimethyl-5-nitrosopentanoic acid
CID 174891106

Frequently Asked Questions

What is the IUPAC name of 7-amino-4,4,5,5,6,6,7,7-octahydroxy-2-methylheptanoic acid?
The IUPAC name of 7-amino-4,4,5,5,6,6,7,7-octahydroxy-2-methylheptanoic acid (CID 90908022) is 7-amino-4,4,5,5,6,6,7,7-octahydroxy-2-methylheptanoic acid.
What is the SMILES notation for 7-amino-4,4,5,5,6,6,7,7-octahydroxy-2-methylheptanoic acid?
The canonical SMILES for 7-amino-4,4,5,5,6,6,7,7-octahydroxy-2-methylheptanoic acid is CC(CC(O)(O)C(O)(O)C(O)(O)C(N)(O)O)C(=O)O.
What is the InChIKey of 7-amino-4,4,5,5,6,6,7,7-octahydroxy-2-methylheptanoic acid?
The InChIKey is OYOHPMUDCRNKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO10/c1-3(4(10)11)2-5(12,13)6(14,15)7(16,17)8(9,18)19/h3,12-19H,2,9H2,1H3,(H,10,11).
What are the key properties of 7-amino-4,4,5,5,6,6,7,7-octahydroxy-2-methylheptanoic acid?
7-amino-4,4,5,5,6,6,7,7-octahydroxy-2-methylheptanoic acid has a molecular weight of 287.22 g/mol, XLogP of -5.26, 6 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-4,4,5,5,6,6,7,7-octahydroxy-2-methylheptanoic acid is sourced from PubChem (CID 90908022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).