(5S)-5-amino-3-hydroxyoctanoic acid

C8H17NO3 — CID 88894595

IUPAC(5S)-5-amino-3-hydroxyoctanoic acid
SMILESCCC[C@H](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)/t6-,7?/m0/s1
InChIKeyCQYVALLNCKTQLB-PKPIPKONSA-N
MW175.23 g/mol
LogP0.34
Rot. Bonds6

About (5S)-5-amino-3-hydroxyoctanoic acid

(5S)-5-amino-3-hydroxyoctanoic acid (PubChem CID 88894595) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is (5S)-5-amino-3-hydroxyoctanoic acid.

Molecular Properties

Compound Name(5S)-5-amino-3-hydroxyoctanoic acid
PubChem CID88894595
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name(5S)-5-amino-3-hydroxyoctanoic acid
SMILESCCC[C@H](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)/t6-,7?/m0/s1
InChIKeyCQYVALLNCKTQLB-PKPIPKONSA-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 (5S)-5-amino-3-hydroxyoctanoic acid?
The IUPAC name of (5S)-5-amino-3-hydroxyoctanoic acid (CID 88894595) is (5S)-5-amino-3-hydroxyoctanoic acid.
What is the SMILES notation for (5S)-5-amino-3-hydroxyoctanoic acid?
The canonical SMILES for (5S)-5-amino-3-hydroxyoctanoic acid is CCC[C@H](N)CC(O)CC(=O)O.
What is the InChIKey of (5S)-5-amino-3-hydroxyoctanoic acid?
The InChIKey is CQYVALLNCKTQLB-PKPIPKONSA-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)/t6-,7?/m0/s1.
What are the key properties of (5S)-5-amino-3-hydroxyoctanoic acid?
(5S)-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 (5S)-5-amino-3-hydroxyoctanoic acid is sourced from PubChem (CID 88894595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).