11-(3-aminopropanoylamino)undecanoic acid

C14H28N2O3 — CID 170417456

IUPAC11-(3-aminopropanoylamino)undecanoic acid
SMILESNCCC(=O)NCCCCCCCCCCC(=O)O
InChIInChI=1S/C14H28N2O3/c15-11-10-13(17)16-12-8-6-4-2-1-3-5-7-9-14(18)19/h1-12,15H2,(H,16,17)(H,18,19)
InChIKeyGNODUECUUMNDKN-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.05
Rot. Bonds13

About 11-(3-aminopropanoylamino)undecanoic acid

11-(3-aminopropanoylamino)undecanoic acid (PubChem CID 170417456) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 11-(3-aminopropanoylamino)undecanoic acid.

Molecular Properties

Compound Name11-(3-aminopropanoylamino)undecanoic acid
PubChem CID170417456
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name11-(3-aminopropanoylamino)undecanoic acid
SMILESNCCC(=O)NCCCCCCCCCCC(=O)O
InChIInChI=1S/C14H28N2O3/c15-11-10-13(17)16-12-8-6-4-2-1-3-5-7-9-14(18)19/h1-12,15H2,(H,16,17)(H,18,19)
InChIKeyGNODUECUUMNDKN-UHFFFAOYSA-N
XLogP2.05
TPSA92.42 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 ≤ 52.05
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

11-(3-aminopropanoylamino)undecanoic acid;ethane
CID 170598343
15-(6-aminohexanoylamino)pentadecanoic acid
CID 170598253
8-(8-aminooctanoylamino)octanoic acid
CID 16654921
12-[[14-(11-carboxyundecylamino)-14-oxotetradecanoyl]amino]dodecanoic acid
CID 139798562
9-[6-(8-carboxyoctanoylamino)hexylamino]-9-oxononanoic acid
CID 139798563
6-(5-aminopentanoylamino)hexanoic acid;ethane
CID 144538701
11-(5-aminopentanoylamino)undecanoic acid;ethane
CID 170598390
azane;6-[6-(5-carboxypentanoylamino)hexylamino]-6-oxohexanoic acid
CID 170853910
12-(4-carboxybutanoylamino)dodecanoic acid
CID 141106762
6-[(2-aminoacetyl)amino]hexanoic acid;methane
CID 144591322
4-(8-aminooctylamino)-4-oxobutanoic acid
CID 118437583
N,N'-bis(12-aminododecyl)octanediamide
CID 58602052

Frequently Asked Questions

What is the IUPAC name of 11-(3-aminopropanoylamino)undecanoic acid?
The IUPAC name of 11-(3-aminopropanoylamino)undecanoic acid (CID 170417456) is 11-(3-aminopropanoylamino)undecanoic acid.
What is the SMILES notation for 11-(3-aminopropanoylamino)undecanoic acid?
The canonical SMILES for 11-(3-aminopropanoylamino)undecanoic acid is NCCC(=O)NCCCCCCCCCCC(=O)O.
What is the InChIKey of 11-(3-aminopropanoylamino)undecanoic acid?
The InChIKey is GNODUECUUMNDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c15-11-10-13(17)16-12-8-6-4-2-1-3-5-7-9-14(18)19/h1-12,15H2,(H,16,17)(H,18,19).
What are the key properties of 11-(3-aminopropanoylamino)undecanoic acid?
11-(3-aminopropanoylamino)undecanoic acid has a molecular weight of 272.39 g/mol, XLogP of 2.05, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(3-aminopropanoylamino)undecanoic acid is sourced from PubChem (CID 170417456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).