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

C9H16N2O4 — CID 59658344

IUPAC2-amino-6-(2-oxopropanoylamino)hexanoic acid
SMILESCC(=O)C(=O)NCCCCC(N)C(=O)O
InChIInChI=1S/C9H16N2O4/c1-6(12)8(13)11-5-3-2-4-7(10)9(14)15/h7H,2-5,10H2,1H3,(H,11,13)(H,14,15)
InChIKeyKOPWOXYTNHSKIZ-UHFFFAOYSA-N
MW216.24 g/mol
LogP-0.73
Rot. Bonds7

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

2-amino-6-(2-oxopropanoylamino)hexanoic acid (PubChem CID 59658344) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-amino-6-(2-oxopropanoylamino)hexanoic acid.

Molecular Properties

Compound Name2-amino-6-(2-oxopropanoylamino)hexanoic acid
PubChem CID59658344
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name2-amino-6-(2-oxopropanoylamino)hexanoic acid
SMILESCC(=O)C(=O)NCCCCC(N)C(=O)O
InChIInChI=1S/C9H16N2O4/c1-6(12)8(13)11-5-3-2-4-7(10)9(14)15/h7H,2-5,10H2,1H3,(H,11,13)(H,14,15)
InChIKeyKOPWOXYTNHSKIZ-UHFFFAOYSA-N
XLogP-0.73
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-6-(2-methylprop-2-enoylamino)hexanoic acid
CID 18391586
2-amino-6-(methoxycarbonylamino)hexanoic acid
CID 10899722
2-amino-6-(methylsulfanylcarbonylamino)hexanoic acid
CID 134355075
(2S)-2-amino-6-[[(2S)-2-amino-3-sulfanylpropanoyl]amino]hexanoic acid
CID 51356146
actinium;(2S)-2-amino-6-[[(E)-N-hydroxy-C-methylcarbonimidoyl]amino]hexanoic acid;dihydrochloride
CID 172932438
2-amino-6-(2-propylpentanoylamino)hexanoic acid
CID 164728968
(2S)-2-amino-6-(dodecylcarbamoylamino)hexanoic acid
CID 15825732
(2S)-2-amino-6-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]hexanoic acid
CID 167312289
bis(2-amino-6-(ethoxycarbonylamino)hexanoic acid);copper
CID 4305518
(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
(2S)-2-amino-6-(methylamino)hexanoic acid;ethane
CID 144761266
4-aminobutylcarbamic acid;2,6-diaminohexanoic acid
CID 174985893

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-oxopropanoylamino)hexanoic acid?
The IUPAC name of 2-amino-6-(2-oxopropanoylamino)hexanoic acid (CID 59658344) is 2-amino-6-(2-oxopropanoylamino)hexanoic acid.
What is the SMILES notation for 2-amino-6-(2-oxopropanoylamino)hexanoic acid?
The canonical SMILES for 2-amino-6-(2-oxopropanoylamino)hexanoic acid is CC(=O)C(=O)NCCCCC(N)C(=O)O.
What is the InChIKey of 2-amino-6-(2-oxopropanoylamino)hexanoic acid?
The InChIKey is KOPWOXYTNHSKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-6(12)8(13)11-5-3-2-4-7(10)9(14)15/h7H,2-5,10H2,1H3,(H,11,13)(H,14,15).
What are the key properties of 2-amino-6-(2-oxopropanoylamino)hexanoic acid?
2-amino-6-(2-oxopropanoylamino)hexanoic acid has a molecular weight of 216.24 g/mol, XLogP of -0.73, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-oxopropanoylamino)hexanoic acid is sourced from PubChem (CID 59658344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).