6-amino-5,6-dihydroxyhexanoic acid

C6H13NO4 — CID 123463215

IUPAC6-amino-5,6-dihydroxyhexanoic acid
SMILESNC(O)C(O)CCCC(=O)O
InChIInChI=1S/C6H13NO4/c7-6(11)4(8)2-1-3-5(9)10/h4,6,8,11H,1-3,7H2,(H,9,10)
InChIKeySBJLSZMYPFMDAM-UHFFFAOYSA-N
MW163.17 g/mol
LogP-1.12
Rot. Bonds5

About 6-amino-5,6-dihydroxyhexanoic acid

6-amino-5,6-dihydroxyhexanoic acid (PubChem CID 123463215) has the molecular formula C6H13NO4 and a molecular weight of 163.17 g/mol. Its IUPAC name is 6-amino-5,6-dihydroxyhexanoic acid.

Molecular Properties

Compound Name6-amino-5,6-dihydroxyhexanoic acid
PubChem CID123463215
Molecular FormulaC6H13NO4
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name6-amino-5,6-dihydroxyhexanoic acid
SMILESNC(O)C(O)CCCC(=O)O
InChIInChI=1S/C6H13NO4/c7-6(11)4(8)2-1-3-5(9)10/h4,6,8,11H,1-3,7H2,(H,9,10)
InChIKeySBJLSZMYPFMDAM-UHFFFAOYSA-N
XLogP-1.12
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 5-1.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7,8-dihydroxyhexadecanedioic acid
CID 14556981
5,5-dihydroxypentanoic acid
CID 57194054
5-aminododecanedioic acid
CID 3835680
(5R)-5-amino-5-phosphanylpentanoic acid
CID 174654191
17,18,19-trihydroxypentatriacontanedioic acid
CID 22665136
5,6-dihydroxyoctadecanoic acid
CID 5282926
6,12-diaminoheptadecanedioic acid
CID 23455605
disodium;2-aminohexanedioic acid;hydride
CID 174674537
5-amino-5-sulfopentanoic acid
CID 174439740
5,6-dihydroxyhexanoic acid
CID 15140307
(5S)-5,6-dihydroxyhexanoic acid
CID 88918822
(3S)-3-hydroxyheptanedioic acid
CID 87737490

Frequently Asked Questions

What is the IUPAC name of 6-amino-5,6-dihydroxyhexanoic acid?
The IUPAC name of 6-amino-5,6-dihydroxyhexanoic acid (CID 123463215) is 6-amino-5,6-dihydroxyhexanoic acid.
What is the SMILES notation for 6-amino-5,6-dihydroxyhexanoic acid?
The canonical SMILES for 6-amino-5,6-dihydroxyhexanoic acid is NC(O)C(O)CCCC(=O)O.
What is the InChIKey of 6-amino-5,6-dihydroxyhexanoic acid?
The InChIKey is SBJLSZMYPFMDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4/c7-6(11)4(8)2-1-3-5(9)10/h4,6,8,11H,1-3,7H2,(H,9,10).
What are the key properties of 6-amino-5,6-dihydroxyhexanoic acid?
6-amino-5,6-dihydroxyhexanoic acid has a molecular weight of 163.17 g/mol, XLogP of -1.12, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5,6-dihydroxyhexanoic acid is sourced from PubChem (CID 123463215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).