2-(6-aminohexanoylamino)pentanedioic acid;ethane

C13H26N2O5 — CID 142985665

IUPAC2-(6-aminohexanoylamino)pentanedioic acid;ethane
SMILESCC.NCCCCCC(=O)NC(CCC(=O)O)C(=O)O
InChIInChI=1S/C11H20N2O5.C2H6/c12-7-3-1-2-4-9(14)13-8(11(17)18)5-6-10(15)16;1-2/h8H,1-7,12H2,(H,13,14)(H,15,16)(H,17,18);1-2H3
InChIKeyGDVSJCSRRKZFOY-UHFFFAOYSA-N
MW290.36 g/mol
LogP0.97
Rot. Bonds10

About 2-(6-aminohexanoylamino)pentanedioic acid;ethane

2-(6-aminohexanoylamino)pentanedioic acid;ethane (PubChem CID 142985665) has the molecular formula C13H26N2O5 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-(6-aminohexanoylamino)pentanedioic acid;ethane.

Molecular Properties

Compound Name2-(6-aminohexanoylamino)pentanedioic acid;ethane
PubChem CID142985665
Molecular FormulaC13H26N2O5
Molecular Weight290.36 g/mol
Exact Mass290.18
IUPAC Name2-(6-aminohexanoylamino)pentanedioic acid;ethane
SMILESCC.NCCCCCC(=O)NC(CCC(=O)O)C(=O)O
InChIInChI=1S/C11H20N2O5.C2H6/c12-7-3-1-2-4-9(14)13-8(11(17)18)5-6-10(15)16;1-2/h8H,1-7,12H2,(H,13,14)(H,15,16)(H,17,18);1-2H3
InChIKeyGDVSJCSRRKZFOY-UHFFFAOYSA-N
XLogP0.97
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 50.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

18-[[(1S)-5-amino-1-carboxypentyl]amino]-18-oxooctadecanoic acid
CID 177296826
(2S)-2-[[10-[[(1S)-1,3-dicarboxypropyl]amino]-10-oxodecanoyl]amino]pentanedioic acid
CID 92974928
8-[(4-amino-1-carboxybutyl)amino]-8-oxooctanoic acid
CID 118550134
8-[[(1S)-4-amino-1-carboxybutyl]amino]-8-oxooctanoic acid
CID 118550149
(2S)-6-amino-2-(8-aminooctanoylamino)hexanoic acid
CID 118249963
6-amino-2-(6-aminohexanoylamino)hexanoic acid
CID 19028400
(2S)-2-[[6-[[(1S)-1,3-dicarboxypropyl]amino]-6-oxohexanoyl]amino]pentanedioic acid
CID 100780583
2-aminoethanol;2-(tetradecanoylamino)pentanedioic acid
CID 175329690
20-[[(1S)-4-[[(1S)-4-[[(1S)-4-[[(1S)-4-[2-[(1S)-5-amino-1-carboxypentyl]hydrazinyl]-1-carboxy-4-oxobutyl]amino]-1-carboxy-4-oxobutyl]amino]-1-carboxy-4-oxobutyl]amino]-1-carboxy-4-oxobutyl]amino]-20-oxoicosanoic acid
CID 87646960
2-(6-aminohexanoylamino)-5-methoxy-5-oxopentanoic acid
CID 82787226
2-(7-aminoheptanoylamino)hexanoic acid
CID 61161785
(2S)-2-(5-aminopentanoylamino)pentanoic acid
CID 103869799

Frequently Asked Questions

What is the IUPAC name of 2-(6-aminohexanoylamino)pentanedioic acid;ethane?
The IUPAC name of 2-(6-aminohexanoylamino)pentanedioic acid;ethane (CID 142985665) is 2-(6-aminohexanoylamino)pentanedioic acid;ethane.
What is the SMILES notation for 2-(6-aminohexanoylamino)pentanedioic acid;ethane?
The canonical SMILES for 2-(6-aminohexanoylamino)pentanedioic acid;ethane is CC.NCCCCCC(=O)NC(CCC(=O)O)C(=O)O.
What is the InChIKey of 2-(6-aminohexanoylamino)pentanedioic acid;ethane?
The InChIKey is GDVSJCSRRKZFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5.C2H6/c12-7-3-1-2-4-9(14)13-8(11(17)18)5-6-10(15)16;1-2/h8H,1-7,12H2,(H,13,14)(H,15,16)(H,17,18);1-2H3.
What are the key properties of 2-(6-aminohexanoylamino)pentanedioic acid;ethane?
2-(6-aminohexanoylamino)pentanedioic acid;ethane has a molecular weight of 290.36 g/mol, XLogP of 0.97, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-aminohexanoylamino)pentanedioic acid;ethane is sourced from PubChem (CID 142985665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).