(4S)-4-amino-5-oxooctanoic acid

C8H15NO3 — CID 90935550

IUPAC(4S)-4-amino-5-oxooctanoic acid
SMILESCCCC(=O)[C@@H](N)CCC(=O)O
InChIInChI=1S/C8H15NO3/c1-2-3-7(10)6(9)4-5-8(11)12/h6H,2-5,9H2,1H3,(H,11,12)/t6-/m0/s1
InChIKeyFJSKJGHQEHKQLE-LURJTMIESA-N
MW173.21 g/mol
LogP0.55
Rot. Bonds6

About (4S)-4-amino-5-oxooctanoic acid

(4S)-4-amino-5-oxooctanoic acid (PubChem CID 90935550) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is (4S)-4-amino-5-oxooctanoic acid.

Molecular Properties

Compound Name(4S)-4-amino-5-oxooctanoic acid
PubChem CID90935550
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name(4S)-4-amino-5-oxooctanoic acid
SMILESCCCC(=O)[C@@H](N)CCC(=O)O
InChIInChI=1S/C8H15NO3/c1-2-3-7(10)6(9)4-5-8(11)12/h6H,2-5,9H2,1H3,(H,11,12)/t6-/m0/s1
InChIKeyFJSKJGHQEHKQLE-LURJTMIESA-N
XLogP0.55
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-aminopentanedioic acid;butanedioic acid;butanoic acid
CID 158042899
(4S)-4-amino-5-oxohenicosanedioic acid
CID 90040978
(4S)-4-amino-6-chloro-5-oxohexanoic acid
CID 14655222
(2S)-2-aminohexanoic acid;(2S)-2-aminopentanedioic acid
CID 87638695
4,6-diamino-5-oxooctanoic acid
CID 87431132
2-[(2S)-2-amino-3-oxohexyl]propanedioic acid
CID 175715346
(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059
2-aminopentanedioic acid
CID 611
4-amino-5,7-dioxoheptanoic acid
CID 174506159
2-aminopentanedioic acid;dodecanoic acid
CID 175003829
(2S)-2-aminopentanedioic acid;heptahydrate
CID 156766287
(2S)-2-aminopentanedioic acid;trihydrochloride
CID 140679884

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-5-oxooctanoic acid?
The IUPAC name of (4S)-4-amino-5-oxooctanoic acid (CID 90935550) is (4S)-4-amino-5-oxooctanoic acid.
What is the SMILES notation for (4S)-4-amino-5-oxooctanoic acid?
The canonical SMILES for (4S)-4-amino-5-oxooctanoic acid is CCCC(=O)[C@@H](N)CCC(=O)O.
What is the InChIKey of (4S)-4-amino-5-oxooctanoic acid?
The InChIKey is FJSKJGHQEHKQLE-LURJTMIESA-N. The full InChI is InChI=1S/C8H15NO3/c1-2-3-7(10)6(9)4-5-8(11)12/h6H,2-5,9H2,1H3,(H,11,12)/t6-/m0/s1.
What are the key properties of (4S)-4-amino-5-oxooctanoic acid?
(4S)-4-amino-5-oxooctanoic acid has a molecular weight of 173.21 g/mol, XLogP of 0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-5-oxooctanoic acid is sourced from PubChem (CID 90935550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).