6-[(2-acetamidoacetyl)amino]hexanoic acid

C10H18N2O4 — CID 24693828

IUPAC6-[(2-acetamidoacetyl)amino]hexanoic acid
SMILESCC(=O)NCC(=O)NCCCCCC(=O)O
InChIInChI=1S/C10H18N2O4/c1-8(13)12-7-9(14)11-6-4-2-3-5-10(15)16/h2-7H2,1H3,(H,11,14)(H,12,13)(H,15,16)
InChIKeyNJVZPDRCSXQREJ-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.12
Rot. Bonds8

About 6-[(2-acetamidoacetyl)amino]hexanoic acid

6-[(2-acetamidoacetyl)amino]hexanoic acid (PubChem CID 24693828) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 6-[(2-acetamidoacetyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(2-acetamidoacetyl)amino]hexanoic acid
PubChem CID24693828
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name6-[(2-acetamidoacetyl)amino]hexanoic acid
SMILESCC(=O)NCC(=O)NCCCCCC(=O)O
InChIInChI=1S/C10H18N2O4/c1-8(13)12-7-9(14)11-6-4-2-3-5-10(15)16/h2-7H2,1H3,(H,11,14)(H,12,13)(H,15,16)
InChIKeyNJVZPDRCSXQREJ-UHFFFAOYSA-N
XLogP-0.12
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[6-(6-acetamidohexanoylamino)hexanoylamino]hexanoic acid
CID 59079185
6-acetamidohexanoic acid;methane
CID 163527023
12-[[14-(11-carboxyundecylamino)-14-oxotetradecanoyl]amino]dodecanoic acid
CID 139798562
9-[6-(8-carboxyoctanoylamino)hexylamino]-9-oxononanoic acid
CID 139798563
7-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]heptanoic acid
CID 61202867
4-[[2-[11-[[2-(3-carboxypropanoylamino)acetyl]amino]undecylamino]-2-oxoethyl]amino]-4-oxobutanoic acid
CID 89444985
azane;6-[6-(5-carboxypentanoylamino)hexylamino]-6-oxohexanoic acid
CID 170853910
12-(4-carboxybutanoylamino)dodecanoic acid
CID 141106762
ethane;4-oxo-4-[[2-oxo-2-(5-oxohexylamino)ethyl]amino]butanoic acid
CID 144872534
ethane;10-(propanoylamino)decanoic acid;11-(propanoylamino)undecanoic acid
CID 156732103
16-(butanoylamino)hexadecanoic acid
CID 118711043
6-(hexylamino)-6-oxohexanoic acid
CID 22448385

Frequently Asked Questions

What is the IUPAC name of 6-[(2-acetamidoacetyl)amino]hexanoic acid?
The IUPAC name of 6-[(2-acetamidoacetyl)amino]hexanoic acid (CID 24693828) is 6-[(2-acetamidoacetyl)amino]hexanoic acid.
What is the SMILES notation for 6-[(2-acetamidoacetyl)amino]hexanoic acid?
The canonical SMILES for 6-[(2-acetamidoacetyl)amino]hexanoic acid is CC(=O)NCC(=O)NCCCCCC(=O)O.
What is the InChIKey of 6-[(2-acetamidoacetyl)amino]hexanoic acid?
The InChIKey is NJVZPDRCSXQREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-8(13)12-7-9(14)11-6-4-2-3-5-10(15)16/h2-7H2,1H3,(H,11,14)(H,12,13)(H,15,16).
What are the key properties of 6-[(2-acetamidoacetyl)amino]hexanoic acid?
6-[(2-acetamidoacetyl)amino]hexanoic acid has a molecular weight of 230.26 g/mol, XLogP of -0.12, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-acetamidoacetyl)amino]hexanoic acid is sourced from PubChem (CID 24693828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).