5-amino-2-(2,6-diaminohexanoylamino)pentanoic acid

C11H24N4O3 — CID 71340044

IUPAC5-amino-2-(2,6-diaminohexanoylamino)pentanoic acid
SMILESNCCCCC(N)C(=O)NC(CCCN)C(=O)O
InChIInChI=1S/C11H24N4O3/c12-6-2-1-4-8(14)10(16)15-9(11(17)18)5-3-7-13/h8-9H,1-7,12-14H2,(H,15,16)(H,17,18)
InChIKeyFNTNTMPEEZFWOQ-UHFFFAOYSA-N
MW260.34 g/mol
LogP-1.25
Rot. Bonds10

About 5-amino-2-(2,6-diaminohexanoylamino)pentanoic acid

5-amino-2-(2,6-diaminohexanoylamino)pentanoic acid (PubChem CID 71340044) has the molecular formula C11H24N4O3 and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-amino-2-(2,6-diaminohexanoylamino)pentanoic acid.

Molecular Properties

Compound Name5-amino-2-(2,6-diaminohexanoylamino)pentanoic acid
PubChem CID71340044
Molecular FormulaC11H24N4O3
Molecular Weight260.34 g/mol
Exact Mass260.18
IUPAC Name5-amino-2-(2,6-diaminohexanoylamino)pentanoic acid
SMILESNCCCCC(N)C(=O)NC(CCCN)C(=O)O
InChIInChI=1S/C11H24N4O3/c12-6-2-1-4-8(14)10(16)15-9(11(17)18)5-3-7-13/h8-9H,1-7,12-14H2,(H,15,16)(H,17,18)
InChIKeyFNTNTMPEEZFWOQ-UHFFFAOYSA-N
XLogP-1.25
TPSA144.46 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 5-1.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2R)-6-amino-2-[[(2R)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid
CID 125032952
6-amino-2-[[(2S)-2-aminoheptanoyl]amino]hexanoic acid
CID 126760734
6-amino-2-[[3-carboxy-2-(2,6-diaminohexanoylamino)propanoyl]amino]hexanoic acid
CID 18411377
6-amino-2-[[2-[[2-(2,6-diaminohexanoylamino)-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]hexanoic acid
CID 18308557
(2S)-6-amino-2-[[(2R)-2-amino-4-carboxybutanoyl]amino]hexanoic acid
CID 90943768
(2S)-6-amino-2-[[(2R)-2,3-diaminopropanoyl]amino]hexanoic acid;trihydrochloride
CID 11949492
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
CID 177464935
4-amino-2-(2,6-diaminohexanoylamino)-4-oxobutanoic acid
CID 18218223
6-amino-2-[(2-amino-3-sulfanylpropanoyl)amino]hexanoic acid
CID 19900079
6-amino-2-[[2-[[2-(2,6-diaminohexanoylamino)-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]hexanoic acid
CID 18306476
2-[[6-amino-2-(2,6-diaminohexanoylamino)hexanoyl]amino]-3-sulfanylpropanoic acid
CID 18222521
(2S)-6-amino-2-[[4-amino-2-(2-aminohexanoylamino)butanoyl]amino]hexanoic acid
CID 24983240

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2,6-diaminohexanoylamino)pentanoic acid?
The IUPAC name of 5-amino-2-(2,6-diaminohexanoylamino)pentanoic acid (CID 71340044) is 5-amino-2-(2,6-diaminohexanoylamino)pentanoic acid.
What is the SMILES notation for 5-amino-2-(2,6-diaminohexanoylamino)pentanoic acid?
The canonical SMILES for 5-amino-2-(2,6-diaminohexanoylamino)pentanoic acid is NCCCCC(N)C(=O)NC(CCCN)C(=O)O.
What is the InChIKey of 5-amino-2-(2,6-diaminohexanoylamino)pentanoic acid?
The InChIKey is FNTNTMPEEZFWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O3/c12-6-2-1-4-8(14)10(16)15-9(11(17)18)5-3-7-13/h8-9H,1-7,12-14H2,(H,15,16)(H,17,18).
What are the key properties of 5-amino-2-(2,6-diaminohexanoylamino)pentanoic acid?
5-amino-2-(2,6-diaminohexanoylamino)pentanoic acid has a molecular weight of 260.34 g/mol, XLogP of -1.25, 10 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2,6-diaminohexanoylamino)pentanoic acid is sourced from PubChem (CID 71340044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).