11-(5-aminopentanoylamino)undecanoic acid;ethane

C22H50N2O3 — CID 170598390

IUPAC11-(5-aminopentanoylamino)undecanoic acid;ethane
SMILESCC.CC.CC.NCCCCC(=O)NCCCCCCCCCCC(=O)O
InChIInChI=1S/C16H32N2O3.3C2H6/c17-13-9-8-11-15(19)18-14-10-6-4-2-1-3-5-7-12-16(20)21;3*1-2/h1-14,17H2,(H,18,19)(H,20,21);3*1-2H3
InChIKeyGICQLUSKWLNMAB-UHFFFAOYSA-N
MW390.65 g/mol
LogP5.91
Rot. Bonds15

About 11-(5-aminopentanoylamino)undecanoic acid;ethane

11-(5-aminopentanoylamino)undecanoic acid;ethane (PubChem CID 170598390) has the molecular formula C22H50N2O3 and a molecular weight of 390.65 g/mol. Its IUPAC name is 11-(5-aminopentanoylamino)undecanoic acid;ethane.

Molecular Properties

Compound Name11-(5-aminopentanoylamino)undecanoic acid;ethane
PubChem CID170598390
Molecular FormulaC22H50N2O3
Molecular Weight390.65 g/mol
Exact Mass390.38
IUPAC Name11-(5-aminopentanoylamino)undecanoic acid;ethane
SMILESCC.CC.CC.NCCCCC(=O)NCCCCCCCCCCC(=O)O
InChIInChI=1S/C16H32N2O3.3C2H6/c17-13-9-8-11-15(19)18-14-10-6-4-2-1-3-5-7-12-16(20)21;3*1-2/h1-14,17H2,(H,18,19)(H,20,21);3*1-2H3
InChIKeyGICQLUSKWLNMAB-UHFFFAOYSA-N
XLogP5.91
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.65
LogP ≤ 55.91
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-(5-aminopentanoylamino)hexanoic acid;ethane
CID 144538701
15-(6-aminohexanoylamino)pentadecanoic acid
CID 170598253
8-(8-aminooctanoylamino)octanoic acid
CID 16654921
11-(3-aminopropanoylamino)undecanoic acid;ethane
CID 170598343
6-amino-N-(7-aminoheptyl)hexanamide
CID 56980494
N,N'-bis(12-aminododecyl)octanediamide
CID 58602052
4-(8-aminooctylamino)-4-oxobutanoic acid
CID 118437583
11-(3-aminopropanoylamino)undecanoic acid
CID 170417456
12-[[14-(11-carboxyundecylamino)-14-oxotetradecanoyl]amino]dodecanoic acid
CID 139798562
9-[6-(8-carboxyoctanoylamino)hexylamino]-9-oxononanoic acid
CID 139798563
N'-heptyl-N-methylhexanediamide;hexane-1,6-diamine;hexanedioic acid;hydride
CID 161372302
azane;6-[6-(5-carboxypentanoylamino)hexylamino]-6-oxohexanoic acid
CID 170853910

Frequently Asked Questions

What is the IUPAC name of 11-(5-aminopentanoylamino)undecanoic acid;ethane?
The IUPAC name of 11-(5-aminopentanoylamino)undecanoic acid;ethane (CID 170598390) is 11-(5-aminopentanoylamino)undecanoic acid;ethane.
What is the SMILES notation for 11-(5-aminopentanoylamino)undecanoic acid;ethane?
The canonical SMILES for 11-(5-aminopentanoylamino)undecanoic acid;ethane is CC.CC.CC.NCCCCC(=O)NCCCCCCCCCCC(=O)O.
What is the InChIKey of 11-(5-aminopentanoylamino)undecanoic acid;ethane?
The InChIKey is GICQLUSKWLNMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3.3C2H6/c17-13-9-8-11-15(19)18-14-10-6-4-2-1-3-5-7-12-16(20)21;3*1-2/h1-14,17H2,(H,18,19)(H,20,21);3*1-2H3.
What are the key properties of 11-(5-aminopentanoylamino)undecanoic acid;ethane?
11-(5-aminopentanoylamino)undecanoic acid;ethane has a molecular weight of 390.65 g/mol, XLogP of 5.91, 15 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(5-aminopentanoylamino)undecanoic acid;ethane is sourced from PubChem (CID 170598390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).