6-acetamidohexanoic acid;methane

C9H19NO3 — CID 163527023

IUPAC6-acetamidohexanoic acid;methane
SMILESC.CC(=O)NCCCCCC(=O)O
InChIInChI=1S/C8H15NO3.CH4/c1-7(10)9-6-4-2-3-5-8(11)12;/h2-6H2,1H3,(H,9,10)(H,11,12);1H4
InChIKeyDPQWQXZAQJKYBK-UHFFFAOYSA-N
MW189.25 g/mol
LogP1.40
Rot. Bonds6

About 6-acetamidohexanoic acid;methane

6-acetamidohexanoic acid;methane (PubChem CID 163527023) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 6-acetamidohexanoic acid;methane.

Molecular Properties

Compound Name6-acetamidohexanoic acid;methane
PubChem CID163527023
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name6-acetamidohexanoic acid;methane
SMILESC.CC(=O)NCCCCCC(=O)O
InChIInChI=1S/C8H15NO3.CH4/c1-7(10)9-6-4-2-3-5-8(11)12;/h2-6H2,1H3,(H,9,10)(H,11,12);1H4
InChIKeyDPQWQXZAQJKYBK-UHFFFAOYSA-N
XLogP1.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[(2-acetamidoacetyl)amino]hexanoic acid
CID 24693828
11-acetamidoundecanoic acid;butan-1-amine
CID 171093396
N-(8-oxononyl)acetamide
CID 58114719
4-(2-acetamidoethylcarbamoylamino)butanoic acid
CID 61201692
12-[[14-(11-carboxyundecylamino)-14-oxotetradecanoyl]amino]dodecanoic acid
CID 139798562
9-[6-(8-carboxyoctanoylamino)hexylamino]-9-oxononanoic acid
CID 139798563
6-(methoxycarbonylamino)hexanoic acid
CID 22382374
N-(10-oxododecyl)acetamide
CID 164677162
3-[6-acetamidohexanoyl(propan-2-yl)amino]propanoic acid
CID 60831935
6-[[2-(5-carboxypentylamino)-2-sulfanylideneethanethioyl]amino]hexanoic acid
CID 3033251
12-(4-carboxybutanoylamino)dodecanoic acid
CID 141106762

Frequently Asked Questions

What is the IUPAC name of 6-acetamidohexanoic acid;methane?
The IUPAC name of 6-acetamidohexanoic acid;methane (CID 163527023) is 6-acetamidohexanoic acid;methane.
What is the SMILES notation for 6-acetamidohexanoic acid;methane?
The canonical SMILES for 6-acetamidohexanoic acid;methane is C.CC(=O)NCCCCCC(=O)O.
What is the InChIKey of 6-acetamidohexanoic acid;methane?
The InChIKey is DPQWQXZAQJKYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3.CH4/c1-7(10)9-6-4-2-3-5-8(11)12;/h2-6H2,1H3,(H,9,10)(H,11,12);1H4.
What are the key properties of 6-acetamidohexanoic acid;methane?
6-acetamidohexanoic acid;methane has a molecular weight of 189.25 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamidohexanoic acid;methane is sourced from PubChem (CID 163527023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).