5-amino-2,3-dihydroxy-2-methylpentanoic acid

C6H13NO4 — CID 175482621

IUPAC5-amino-2,3-dihydroxy-2-methylpentanoic acid
SMILESCC(O)(C(=O)O)C(O)CCN
InChIInChI=1S/C6H13NO4/c1-6(11,5(9)10)4(8)2-3-7/h4,8,11H,2-3,7H2,1H3,(H,9,10)
InChIKeyUMEVAXIXOVZUIF-UHFFFAOYSA-N
MW163.17 g/mol
LogP-1.47
Rot. Bonds4

About 5-amino-2,3-dihydroxy-2-methylpentanoic acid

5-amino-2,3-dihydroxy-2-methylpentanoic acid (PubChem CID 175482621) has the molecular formula C6H13NO4 and a molecular weight of 163.17 g/mol. Its IUPAC name is 5-amino-2,3-dihydroxy-2-methylpentanoic acid.

Molecular Properties

Compound Name5-amino-2,3-dihydroxy-2-methylpentanoic acid
PubChem CID175482621
Molecular FormulaC6H13NO4
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name5-amino-2,3-dihydroxy-2-methylpentanoic acid
SMILESCC(O)(C(=O)O)C(O)CCN
InChIInChI=1S/C6H13NO4/c1-6(11,5(9)10)4(8)2-3-7/h4,8,11H,2-3,7H2,1H3,(H,9,10)
InChIKeyUMEVAXIXOVZUIF-UHFFFAOYSA-N
XLogP-1.47
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 5-1.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-4,4-dimethylpentan-3-ol
CID 55283756
2,3-dihydroxy-2-methyl-4-phenylbutanoic acid
CID 77254762
2,6-diamino-2,4-dihydroxyhexanoic acid
CID 171058574
1-amino-4-methoxy-4-methylpentan-3-ol
CID 130647917
bis(2,3-dihydroxy-2-methylbutanedioic acid);bis(oxovanadium)
CID 5255070
(2S)-2-amino-3-hydroxy-2-methylhexanoic acid
CID 45086731
2-hydroxypropane-1,1,2-tricarboxylic acid
CID 15842075
(2S)-4-amino-1,1,1-trifluorobutan-2-ol
CID 51886728
(2S)-4-amino-2-hydroxy-N,N-dimethylbutanamide
CID 87476132
1-amino-5-methylhexan-3-ol;2,2,2-trifluoroacetic acid
CID 139349054
(2S)-2,4-diamino-N-tert-butylbutanamide
CID 164800248
sodium;hydride;3-hydroxybutane-1,2,3-tricarboxylic acid
CID 175068957

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-dihydroxy-2-methylpentanoic acid?
The IUPAC name of 5-amino-2,3-dihydroxy-2-methylpentanoic acid (CID 175482621) is 5-amino-2,3-dihydroxy-2-methylpentanoic acid.
What is the SMILES notation for 5-amino-2,3-dihydroxy-2-methylpentanoic acid?
The canonical SMILES for 5-amino-2,3-dihydroxy-2-methylpentanoic acid is CC(O)(C(=O)O)C(O)CCN.
What is the InChIKey of 5-amino-2,3-dihydroxy-2-methylpentanoic acid?
The InChIKey is UMEVAXIXOVZUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4/c1-6(11,5(9)10)4(8)2-3-7/h4,8,11H,2-3,7H2,1H3,(H,9,10).
What are the key properties of 5-amino-2,3-dihydroxy-2-methylpentanoic acid?
5-amino-2,3-dihydroxy-2-methylpentanoic acid has a molecular weight of 163.17 g/mol, XLogP of -1.47, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3-dihydroxy-2-methylpentanoic acid is sourced from PubChem (CID 175482621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).