6-amino-2-(2-aminopent-3-ynoylamino)hexanoic acid

C11H19N3O3 — CID 174916858

IUPAC6-amino-2-(2-aminopent-3-ynoylamino)hexanoic acid
SMILESCC#CC(N)C(=O)NC(CCCCN)C(=O)O
InChIInChI=1S/C11H19N3O3/c1-2-5-8(13)10(15)14-9(11(16)17)6-3-4-7-12/h8-9H,3-4,6-7,12-13H2,1H3,(H,14,15)(H,16,17)
InChIKeyTVOACFHOFKLPEF-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.96
Rot. Bonds7

About 6-amino-2-(2-aminopent-3-ynoylamino)hexanoic acid

6-amino-2-(2-aminopent-3-ynoylamino)hexanoic acid (PubChem CID 174916858) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 6-amino-2-(2-aminopent-3-ynoylamino)hexanoic acid.

Molecular Properties

Compound Name6-amino-2-(2-aminopent-3-ynoylamino)hexanoic acid
PubChem CID174916858
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name6-amino-2-(2-aminopent-3-ynoylamino)hexanoic acid
SMILESCC#CC(N)C(=O)NC(CCCCN)C(=O)O
InChIInChI=1S/C11H19N3O3/c1-2-5-8(13)10(15)14-9(11(16)17)6-3-4-7-12/h8-9H,3-4,6-7,12-13H2,1H3,(H,14,15)(H,16,17)
InChIKeyTVOACFHOFKLPEF-UHFFFAOYSA-N
XLogP-0.96
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-6-amino-2-[[(2S)-6-amino-2-methylhexanoyl]amino]hexanoic acid
CID 118056357
(2S)-7-amino-2-[[(2S)-2-aminopropanoyl]amino]heptanoic acid
CID 175695979
5-amino-2-(2,6-diaminohexanoylamino)pentanoic acid
CID 71340044
(2S)-6-amino-2-[[(2R)-2,3-diaminopropanoyl]amino]hexanoic acid;trihydrochloride
CID 11949492
(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-[(2-amino-3-sulfanylpropanoyl)amino]hexanoic acid
CID 19900079
(2S)-6-amino-2-(prop-1-ynylamino)hexanoic acid
CID 154083989
(2S)-6-amino-2-(3-oxobutanoylamino)hexanoic acid
CID 166492381
(2S)-6-amino-2-[[(2R)-2-amino-4-carboxybutanoyl]amino]hexanoic acid
CID 90943768
6-amino-2-[[6-amino-2-[2-(2-aminopropanoylamino)propanoylamino]hexanoyl]amino]hexanoic acid
CID 18232813
(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoic acid
CID 134824866

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(2-aminopent-3-ynoylamino)hexanoic acid?
The IUPAC name of 6-amino-2-(2-aminopent-3-ynoylamino)hexanoic acid (CID 174916858) is 6-amino-2-(2-aminopent-3-ynoylamino)hexanoic acid.
What is the SMILES notation for 6-amino-2-(2-aminopent-3-ynoylamino)hexanoic acid?
The canonical SMILES for 6-amino-2-(2-aminopent-3-ynoylamino)hexanoic acid is CC#CC(N)C(=O)NC(CCCCN)C(=O)O.
What is the InChIKey of 6-amino-2-(2-aminopent-3-ynoylamino)hexanoic acid?
The InChIKey is TVOACFHOFKLPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-2-5-8(13)10(15)14-9(11(16)17)6-3-4-7-12/h8-9H,3-4,6-7,12-13H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 6-amino-2-(2-aminopent-3-ynoylamino)hexanoic acid?
6-amino-2-(2-aminopent-3-ynoylamino)hexanoic acid has a molecular weight of 241.29 g/mol, XLogP of -0.96, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(2-aminopent-3-ynoylamino)hexanoic acid is sourced from PubChem (CID 174916858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).