6-amino-2-(6-aminohexanoylamino)hexanoic acid

C12H25N3O3 — CID 19028400

IUPAC6-amino-2-(6-aminohexanoylamino)hexanoic acid
SMILESNCCCCCC(=O)NC(CCCCN)C(=O)O
InChIInChI=1S/C12H25N3O3/c13-8-4-1-2-7-11(16)15-10(12(17)18)6-3-5-9-14/h10H,1-9,13-14H2,(H,15,16)(H,17,18)
InChIKeyFOZQAHIECQMQPO-UHFFFAOYSA-N
MW259.35 g/mol
LogP0.20
Rot. Bonds11

About 6-amino-2-(6-aminohexanoylamino)hexanoic acid

6-amino-2-(6-aminohexanoylamino)hexanoic acid (PubChem CID 19028400) has the molecular formula C12H25N3O3 and a molecular weight of 259.35 g/mol. Its IUPAC name is 6-amino-2-(6-aminohexanoylamino)hexanoic acid.

Molecular Properties

Compound Name6-amino-2-(6-aminohexanoylamino)hexanoic acid
PubChem CID19028400
Molecular FormulaC12H25N3O3
Molecular Weight259.35 g/mol
Exact Mass259.19
IUPAC Name6-amino-2-(6-aminohexanoylamino)hexanoic acid
SMILESNCCCCCC(=O)NC(CCCCN)C(=O)O
InChIInChI=1S/C12H25N3O3/c13-8-4-1-2-7-11(16)15-10(12(17)18)6-3-5-9-14/h10H,1-9,13-14H2,(H,15,16)(H,17,18)
InChIKeyFOZQAHIECQMQPO-UHFFFAOYSA-N
XLogP0.20
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 50.20
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

(2S)-6-amino-2-(8-aminooctanoylamino)hexanoic acid
CID 118249963
18-[[(1S)-5-amino-1-carboxypentyl]amino]-18-oxooctadecanoic acid
CID 177296826
(2S)-6-amino-2-(heptadecanoylamino)hexanoic acid
CID 171116907
(2S)-6-amino-2-(6-bromohexanoylamino)hexanoic acid
CID 155319942
6-amino-2-(nonanoylamino)hexanoic acid
CID 22722100
6-amino-2-(octanoylamino)hexanoic acid;sulfane
CID 174384017
2-(7-aminoheptanoylamino)hexanoic acid
CID 61161785
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-(4-bromobutanoylamino)hexanoic acid
CID 155319887
6-amino-2-(hexanoylamino)hexanoic acid;dodecanamide
CID 174328411
(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-(hexadecanoylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid
CID 53323362

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(6-aminohexanoylamino)hexanoic acid?
The IUPAC name of 6-amino-2-(6-aminohexanoylamino)hexanoic acid (CID 19028400) is 6-amino-2-(6-aminohexanoylamino)hexanoic acid.
What is the SMILES notation for 6-amino-2-(6-aminohexanoylamino)hexanoic acid?
The canonical SMILES for 6-amino-2-(6-aminohexanoylamino)hexanoic acid is NCCCCCC(=O)NC(CCCCN)C(=O)O.
What is the InChIKey of 6-amino-2-(6-aminohexanoylamino)hexanoic acid?
The InChIKey is FOZQAHIECQMQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3/c13-8-4-1-2-7-11(16)15-10(12(17)18)6-3-5-9-14/h10H,1-9,13-14H2,(H,15,16)(H,17,18).
What are the key properties of 6-amino-2-(6-aminohexanoylamino)hexanoic acid?
6-amino-2-(6-aminohexanoylamino)hexanoic acid has a molecular weight of 259.35 g/mol, XLogP of 0.20, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(6-aminohexanoylamino)hexanoic acid is sourced from PubChem (CID 19028400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).