2-aminooctanedioic acid;2-aminopropanedioic acid

C11H20N2O8 — CID 159597663

IUPAC2-aminooctanedioic acid;2-aminopropanedioic acid
SMILESNC(C(=O)O)C(=O)O.NC(CCCCCC(=O)O)C(=O)O
InChIInChI=1S/C8H15NO4.C3H5NO4/c9-6(8(12)13)4-2-1-3-5-7(10)11;4-1(2(5)6)3(7)8/h6H,1-5,9H2,(H,10,11)(H,12,13);1H,4H2,(H,5,6)(H,7,8)
InChIKeyMLBGILGAXNQOCX-UHFFFAOYSA-N
MW308.29 g/mol
LogP-1.08
Rot. Bonds9

About 2-aminooctanedioic acid;2-aminopropanedioic acid

2-aminooctanedioic acid;2-aminopropanedioic acid (PubChem CID 159597663) has the molecular formula C11H20N2O8 and a molecular weight of 308.29 g/mol. Its IUPAC name is 2-aminooctanedioic acid;2-aminopropanedioic acid.

Molecular Properties

Compound Name2-aminooctanedioic acid;2-aminopropanedioic acid
PubChem CID159597663
Molecular FormulaC11H20N2O8
Molecular Weight308.29 g/mol
Exact Mass308.12
IUPAC Name2-aminooctanedioic acid;2-aminopropanedioic acid
SMILESNC(C(=O)O)C(=O)O.NC(CCCCCC(=O)O)C(=O)O
InChIInChI=1S/C8H15NO4.C3H5NO4/c9-6(8(12)13)4-2-1-3-5-7(10)11;4-1(2(5)6)3(7)8/h6H,1-5,9H2,(H,10,11)(H,12,13);1H,4H2,(H,5,6)(H,7,8)
InChIKeyMLBGILGAXNQOCX-UHFFFAOYSA-N
XLogP-1.08
TPSA201.24 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.29
LogP ≤ 5-1.08
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-aminobutanedioic acid;2-aminooctanedioic acid
CID 161168741
(2S)-2-aminooctanedioic acid;2-oxooctanedioic acid
CID 158254947
(2R,8R)-2,8-diaminononanedioic acid
CID 6994849
disodium;2-aminohexanedioic acid;hydride
CID 174674537
(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
bis(4-aminobutanoic acid);2,6-diaminohexanoic acid
CID 174697274
24-[[(5S)-5-amino-5-carboxypentyl]amino]-24-oxotetracosanoic acid
CID 102018934
decanoic acid;(2S)-2,6-diaminohexanoic acid
CID 87982832
20-[[(5S)-5-amino-5-carboxypentyl]amino]-20-oxoicosanoic acid
CID 123299935
(2S)-2,7-diamino-7-oxoheptanoic acid
CID 88911267
6,12-diaminoheptadecanedioic acid
CID 23455605
2-amino-4-tritiooctanedioic acid
CID 89447650

Frequently Asked Questions

What is the IUPAC name of 2-aminooctanedioic acid;2-aminopropanedioic acid?
The IUPAC name of 2-aminooctanedioic acid;2-aminopropanedioic acid (CID 159597663) is 2-aminooctanedioic acid;2-aminopropanedioic acid.
What is the SMILES notation for 2-aminooctanedioic acid;2-aminopropanedioic acid?
The canonical SMILES for 2-aminooctanedioic acid;2-aminopropanedioic acid is NC(C(=O)O)C(=O)O.NC(CCCCCC(=O)O)C(=O)O.
What is the InChIKey of 2-aminooctanedioic acid;2-aminopropanedioic acid?
The InChIKey is MLBGILGAXNQOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4.C3H5NO4/c9-6(8(12)13)4-2-1-3-5-7(10)11;4-1(2(5)6)3(7)8/h6H,1-5,9H2,(H,10,11)(H,12,13);1H,4H2,(H,5,6)(H,7,8).
What are the key properties of 2-aminooctanedioic acid;2-aminopropanedioic acid?
2-aminooctanedioic acid;2-aminopropanedioic acid has a molecular weight of 308.29 g/mol, XLogP of -1.08, 9 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminooctanedioic acid;2-aminopropanedioic acid is sourced from PubChem (CID 159597663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).