2,6-bis(carboxyamino)hexanoic acid

C8H14N2O6 — CID 23574348

IUPAC2,6-bis(carboxyamino)hexanoic acid
SMILESO=C(O)NCCCCC(NC(=O)O)C(=O)O
InChIInChI=1S/C8H14N2O6/c11-6(12)5(10-8(15)16)3-1-2-4-9-7(13)14/h5,9-10H,1-4H2,(H,11,12)(H,13,14)(H,15,16)
InChIKeyUOBVVYJJNBREHR-UHFFFAOYSA-N
MW234.21 g/mol
LogP0.15
Rot. Bonds7

About 2,6-bis(carboxyamino)hexanoic acid

2,6-bis(carboxyamino)hexanoic acid (PubChem CID 23574348) has the molecular formula C8H14N2O6 and a molecular weight of 234.21 g/mol. Its IUPAC name is 2,6-bis(carboxyamino)hexanoic acid.

Molecular Properties

Compound Name2,6-bis(carboxyamino)hexanoic acid
PubChem CID23574348
Molecular FormulaC8H14N2O6
Molecular Weight234.21 g/mol
Exact Mass234.09
IUPAC Name2,6-bis(carboxyamino)hexanoic acid
SMILESO=C(O)NCCCCC(NC(=O)O)C(=O)O
InChIInChI=1S/C8H14N2O6/c11-6(12)5(10-8(15)16)3-1-2-4-9-7(13)14/h5,9-10H,1-4H2,(H,11,12)(H,13,14)(H,15,16)
InChIKeyUOBVVYJJNBREHR-UHFFFAOYSA-N
XLogP0.15
TPSA135.96 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 50.15
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-(2-acetylhydrazinyl)-6-(carboxyamino)-1-oxohexan-2-yl]carbamic acid
CID 138586594
(2R)-2,6-bis(carbamoylamino)hexanoic acid
CID 2512815
(2R)-2,6-bis[(2-hydroxyacetyl)amino]hexanoic acid
CID 124780506
2,6-bis(prop-2-enoylamino)hexanoic acid
CID 156696069
[6-(carboxyamino)-1-[6-(dodecanoylamino)hexylamino]-1-oxohexan-2-yl]carbamic acid
CID 174242727
2,6-bis(3-sulfanylpropanoylamino)hexanoic acid
CID 89167992
10-(carboxyamino)decan-3-ylcarbamic acid
CID 175071012
[1-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-5-(carboxyamino)-1-oxopentan-2-yl]carbamic acid
CID 138591868
2,6-bis(4-oxopentanoylamino)hexanoic acid
CID 59434222
2,6-bis(3-carboxybut-3-enoylamino)hexanoic acid
CID 169121656
2,5-diacetamidopentanoic acid
CID 10398396
[(2S)-1-[3-[2-[2-[3-[3-[2-[2-[2-[2-[3-[3-[2-[2-[3-[[(2S)-2,6-bis(carboxyamino)hexanoyl]amino]propoxy]ethoxy]ethoxy]propylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]propoxy]ethoxy]ethoxy]propylamino]-6-(carboxyamino)-1-oxohexan-2-yl]carbamic acid
CID 89264397

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(carboxyamino)hexanoic acid?
The IUPAC name of 2,6-bis(carboxyamino)hexanoic acid (CID 23574348) is 2,6-bis(carboxyamino)hexanoic acid.
What is the SMILES notation for 2,6-bis(carboxyamino)hexanoic acid?
The canonical SMILES for 2,6-bis(carboxyamino)hexanoic acid is O=C(O)NCCCCC(NC(=O)O)C(=O)O.
What is the InChIKey of 2,6-bis(carboxyamino)hexanoic acid?
The InChIKey is UOBVVYJJNBREHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O6/c11-6(12)5(10-8(15)16)3-1-2-4-9-7(13)14/h5,9-10H,1-4H2,(H,11,12)(H,13,14)(H,15,16).
What are the key properties of 2,6-bis(carboxyamino)hexanoic acid?
2,6-bis(carboxyamino)hexanoic acid has a molecular weight of 234.21 g/mol, XLogP of 0.15, 7 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(carboxyamino)hexanoic acid is sourced from PubChem (CID 23574348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).