7-[4-(methylamino)butanoylamino]heptanoic acid

C12H24N2O3 — CID 61158719

IUPAC7-[4-(methylamino)butanoylamino]heptanoic acid
SMILESCNCCCC(=O)NCCCCCCC(=O)O
InChIInChI=1S/C12H24N2O3/c1-13-9-6-7-11(15)14-10-5-3-2-4-8-12(16)17/h13H,2-10H2,1H3,(H,14,15)(H,16,17)
InChIKeyBTAZSYIXAPXTLP-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.14
Rot. Bonds11

About 7-[4-(methylamino)butanoylamino]heptanoic acid

7-[4-(methylamino)butanoylamino]heptanoic acid (PubChem CID 61158719) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 7-[4-(methylamino)butanoylamino]heptanoic acid.

Molecular Properties

Compound Name7-[4-(methylamino)butanoylamino]heptanoic acid
PubChem CID61158719
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name7-[4-(methylamino)butanoylamino]heptanoic acid
SMILESCNCCCC(=O)NCCCCCCC(=O)O
InChIInChI=1S/C12H24N2O3/c1-13-9-6-7-11(15)14-10-5-3-2-4-8-12(16)17/h13H,2-10H2,1H3,(H,14,15)(H,16,17)
InChIKeyBTAZSYIXAPXTLP-UHFFFAOYSA-N
XLogP1.14
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.14
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

10-[3-(methylamino)propylamino]-10-oxodecanoic acid
CID 87169049
12-[[14-(11-carboxyundecylamino)-14-oxotetradecanoyl]amino]dodecanoic acid
CID 139798562
9-[6-(8-carboxyoctanoylamino)hexylamino]-9-oxononanoic acid
CID 139798563
4-[5-(methylamino)pentylamino]-4-oxobutanoic acid;yttrium
CID 59926153
12-(4-carboxybutanoylamino)dodecanoic acid
CID 141106762
azane;6-[6-(5-carboxypentanoylamino)hexylamino]-6-oxohexanoic acid
CID 170853910
6-(methylamino)hexanoic acid
CID 4989372
5-(methylamino)pentanoic acid
CID 91583432
ethane;4-(methylamino)-N-(6-oxoheptyl)butanamide
CID 177339122
6-(hexylamino)-6-oxohexanoic acid
CID 22448385
4-(tridecanoylamino)butanoic acid
CID 164851630
11-(dodecanoylamino)undecanoic acid
CID 4163254

Frequently Asked Questions

What is the IUPAC name of 7-[4-(methylamino)butanoylamino]heptanoic acid?
The IUPAC name of 7-[4-(methylamino)butanoylamino]heptanoic acid (CID 61158719) is 7-[4-(methylamino)butanoylamino]heptanoic acid.
What is the SMILES notation for 7-[4-(methylamino)butanoylamino]heptanoic acid?
The canonical SMILES for 7-[4-(methylamino)butanoylamino]heptanoic acid is CNCCCC(=O)NCCCCCCC(=O)O.
What is the InChIKey of 7-[4-(methylamino)butanoylamino]heptanoic acid?
The InChIKey is BTAZSYIXAPXTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-13-9-6-7-11(15)14-10-5-3-2-4-8-12(16)17/h13H,2-10H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 7-[4-(methylamino)butanoylamino]heptanoic acid?
7-[4-(methylamino)butanoylamino]heptanoic acid has a molecular weight of 244.33 g/mol, XLogP of 1.14, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(methylamino)butanoylamino]heptanoic acid is sourced from PubChem (CID 61158719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).