10-[3-(methylamino)propylamino]-10-oxodecanoic acid

C14H28N2O3 — CID 87169049

IUPAC10-[3-(methylamino)propylamino]-10-oxodecanoic acid
SMILESCNCCCNC(=O)CCCCCCCCC(=O)O
InChIInChI=1S/C14H28N2O3/c1-15-11-8-12-16-13(17)9-6-4-2-3-5-7-10-14(18)19/h15H,2-12H2,1H3,(H,16,17)(H,18,19)
InChIKeyILULRLJCPLUBKQ-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.92
Rot. Bonds13

About 10-[3-(methylamino)propylamino]-10-oxodecanoic acid

10-[3-(methylamino)propylamino]-10-oxodecanoic acid (PubChem CID 87169049) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 10-[3-(methylamino)propylamino]-10-oxodecanoic acid.

Molecular Properties

Compound Name10-[3-(methylamino)propylamino]-10-oxodecanoic acid
PubChem CID87169049
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name10-[3-(methylamino)propylamino]-10-oxodecanoic acid
SMILESCNCCCNC(=O)CCCCCCCCC(=O)O
InChIInChI=1S/C14H28N2O3/c1-15-11-8-12-16-13(17)9-6-4-2-3-5-7-10-14(18)19/h15H,2-12H2,1H3,(H,16,17)(H,18,19)
InChIKeyILULRLJCPLUBKQ-UHFFFAOYSA-N
XLogP1.92
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.92
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

7-[4-(methylamino)butanoylamino]heptanoic acid
CID 61158719
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
6-(hexylamino)-6-oxohexanoic acid
CID 22448385
4-(tridecanoylamino)butanoic acid
CID 164851630
11-(dodecanoylamino)undecanoic acid
CID 4163254
6-[6-(6-acetamidohexanoylamino)hexanoylamino]hexanoic acid
CID 59079185

Frequently Asked Questions

What is the IUPAC name of 10-[3-(methylamino)propylamino]-10-oxodecanoic acid?
The IUPAC name of 10-[3-(methylamino)propylamino]-10-oxodecanoic acid (CID 87169049) is 10-[3-(methylamino)propylamino]-10-oxodecanoic acid.
What is the SMILES notation for 10-[3-(methylamino)propylamino]-10-oxodecanoic acid?
The canonical SMILES for 10-[3-(methylamino)propylamino]-10-oxodecanoic acid is CNCCCNC(=O)CCCCCCCCC(=O)O.
What is the InChIKey of 10-[3-(methylamino)propylamino]-10-oxodecanoic acid?
The InChIKey is ILULRLJCPLUBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-15-11-8-12-16-13(17)9-6-4-2-3-5-7-10-14(18)19/h15H,2-12H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 10-[3-(methylamino)propylamino]-10-oxodecanoic acid?
10-[3-(methylamino)propylamino]-10-oxodecanoic acid has a molecular weight of 272.39 g/mol, XLogP of 1.92, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(methylamino)propylamino]-10-oxodecanoic acid is sourced from PubChem (CID 87169049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).