5-amino-3-hydroxyoctanoic acid

C8H17NO3 — CID 142971893

IUPAC5-amino-3-hydroxyoctanoic acid
SMILESCCCC(N)CC(O)CC(=O)O
InChIInChI=1S/C8H17NO3/c1-2-3-6(9)4-7(10)5-8(11)12/h6-7,10H,2-5,9H2,1H3,(H,11,12)
InChIKeyCQYVALLNCKTQLB-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.34
Rot. Bonds6

About 5-amino-3-hydroxyoctanoic acid

5-amino-3-hydroxyoctanoic acid (PubChem CID 142971893) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 5-amino-3-hydroxyoctanoic acid.

Molecular Properties

Compound Name5-amino-3-hydroxyoctanoic acid
PubChem CID142971893
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name5-amino-3-hydroxyoctanoic acid
SMILESCCCC(N)CC(O)CC(=O)O
InChIInChI=1S/C8H17NO3/c1-2-3-6(9)4-7(10)5-8(11)12/h6-7,10H,2-5,9H2,1H3,(H,11,12)
InChIKeyCQYVALLNCKTQLB-UHFFFAOYSA-N
XLogP0.34
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-hydroxyoctanoic acid?
The IUPAC name of 5-amino-3-hydroxyoctanoic acid (CID 142971893) is 5-amino-3-hydroxyoctanoic acid.
What is the SMILES notation for 5-amino-3-hydroxyoctanoic acid?
The canonical SMILES for 5-amino-3-hydroxyoctanoic acid is CCCC(N)CC(O)CC(=O)O.
What is the InChIKey of 5-amino-3-hydroxyoctanoic acid?
The InChIKey is CQYVALLNCKTQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-2-3-6(9)4-7(10)5-8(11)12/h6-7,10H,2-5,9H2,1H3,(H,11,12).
What are the key properties of 5-amino-3-hydroxyoctanoic acid?
5-amino-3-hydroxyoctanoic acid has a molecular weight of 175.23 g/mol, XLogP of 0.34, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-hydroxyoctanoic acid is sourced from PubChem (CID 142971893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).