(2S)-2-aminooctanedioic acid

C8H15NO4 — CID 7009575

IUPAC(2S)-2-aminooctanedioic acid
SMILESN[C@@H](CCCCCC(=O)O)C(=O)O
InChIInChI=1S/C8H15NO4/c9-6(8(12)13)4-2-1-3-5-7(10)11/h6H,1-5,9H2,(H,10,11)(H,12,13)/t6-/m0/s1
InChIKeyYOFPFYYTUIARDI-LURJTMIESA-N
MW189.21 g/mol
LogP0.43
Rot. Bonds7

About (2S)-2-aminooctanedioic acid

(2S)-2-aminooctanedioic acid (PubChem CID 7009575) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is (2S)-2-aminooctanedioic acid.

Molecular Properties

Compound Name(2S)-2-aminooctanedioic acid
PubChem CID7009575
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name(2S)-2-aminooctanedioic acid
SMILESN[C@@H](CCCCCC(=O)O)C(=O)O
InChIInChI=1S/C8H15NO4/c9-6(8(12)13)4-2-1-3-5-7(10)11/h6H,1-5,9H2,(H,10,11)(H,12,13)/t6-/m0/s1
InChIKeyYOFPFYYTUIARDI-LURJTMIESA-N
XLogP0.43
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

L-Lysine
CID 5962
Caprine
CID 21236
Lysine, DL-
CID 866
12-Aminododecanoic Acid
CID 69661
11-Aminoundecanoic acid
CID 17083
2-Aminooctanoic acid
CID 69522
D-Lysine
CID 57449
L,L-Diaminopimelic acid
CID 439283
(2S,6S)-2,6-bis(azaniumyl)heptanedioate
CID 1549100
L-Lysine, acetate (1:1)
CID 104152
8-Aminooctanoic acid
CID 66085
(8S)-8-amino-7-oxononanoic acid
CID 448124

Frequently Asked Questions

What is the IUPAC name of (2S)-2-aminooctanedioic acid?
The IUPAC name of (2S)-2-aminooctanedioic acid (CID 7009575) is (2S)-2-aminooctanedioic acid.
What is the SMILES notation for (2S)-2-aminooctanedioic acid?
The canonical SMILES for (2S)-2-aminooctanedioic acid is N[C@@H](CCCCCC(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-aminooctanedioic acid?
The InChIKey is YOFPFYYTUIARDI-LURJTMIESA-N. The full InChI is InChI=1S/C8H15NO4/c9-6(8(12)13)4-2-1-3-5-7(10)11/h6H,1-5,9H2,(H,10,11)(H,12,13)/t6-/m0/s1.
What are the key properties of (2S)-2-aminooctanedioic acid?
(2S)-2-aminooctanedioic acid has a molecular weight of 189.21 g/mol, XLogP of 0.43, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-aminooctanedioic acid is sourced from PubChem (CID 7009575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).