11-(3-aminopropanoylamino)undecanoic acid;ethane

C16H34N2O3 — CID 170598343

IUPAC11-(3-aminopropanoylamino)undecanoic acid;ethane
SMILESCC.NCCC(=O)NCCCCCCCCCCC(=O)O
InChIInChI=1S/C14H28N2O3.C2H6/c15-11-10-13(17)16-12-8-6-4-2-1-3-5-7-9-14(18)19;1-2/h1-12,15H2,(H,16,17)(H,18,19);1-2H3
InChIKeyONJLPSBQPTYPOT-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.07
Rot. Bonds13

About 11-(3-aminopropanoylamino)undecanoic acid;ethane

11-(3-aminopropanoylamino)undecanoic acid;ethane (PubChem CID 170598343) has the molecular formula C16H34N2O3 and a molecular weight of 302.46 g/mol. Its IUPAC name is 11-(3-aminopropanoylamino)undecanoic acid;ethane.

Molecular Properties

Compound Name11-(3-aminopropanoylamino)undecanoic acid;ethane
PubChem CID170598343
Molecular FormulaC16H34N2O3
Molecular Weight302.46 g/mol
Exact Mass302.26
IUPAC Name11-(3-aminopropanoylamino)undecanoic acid;ethane
SMILESCC.NCCC(=O)NCCCCCCCCCCC(=O)O
InChIInChI=1S/C14H28N2O3.C2H6/c15-11-10-13(17)16-12-8-6-4-2-1-3-5-7-9-14(18)19;1-2/h1-12,15H2,(H,16,17)(H,18,19);1-2H3
InChIKeyONJLPSBQPTYPOT-UHFFFAOYSA-N
XLogP3.07
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.07
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
CID 170417456
6-(5-aminopentanoylamino)hexanoic acid;ethane
CID 144538701
11-(5-aminopentanoylamino)undecanoic acid;ethane
CID 170598390
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
12-(4-carboxybutanoylamino)dodecanoic acid
CID 141106762
azane;6-[6-(5-carboxypentanoylamino)hexylamino]-6-oxohexanoic acid
CID 170853910
ethane;10-(propanoylamino)decanoic acid;11-(propanoylamino)undecanoic acid
CID 156732103
16-(butanoylamino)hexadecanoic acid
CID 118711043
6-[(2-aminoacetyl)amino]hexanoic acid;methane
CID 144591322

Frequently Asked Questions

What is the IUPAC name of 11-(3-aminopropanoylamino)undecanoic acid;ethane?
The IUPAC name of 11-(3-aminopropanoylamino)undecanoic acid;ethane (CID 170598343) is 11-(3-aminopropanoylamino)undecanoic acid;ethane.
What is the SMILES notation for 11-(3-aminopropanoylamino)undecanoic acid;ethane?
The canonical SMILES for 11-(3-aminopropanoylamino)undecanoic acid;ethane is CC.NCCC(=O)NCCCCCCCCCCC(=O)O.
What is the InChIKey of 11-(3-aminopropanoylamino)undecanoic acid;ethane?
The InChIKey is ONJLPSBQPTYPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3.C2H6/c15-11-10-13(17)16-12-8-6-4-2-1-3-5-7-9-14(18)19;1-2/h1-12,15H2,(H,16,17)(H,18,19);1-2H3.
What are the key properties of 11-(3-aminopropanoylamino)undecanoic acid;ethane?
11-(3-aminopropanoylamino)undecanoic acid;ethane has a molecular weight of 302.46 g/mol, XLogP of 3.07, 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;ethane is sourced from PubChem (CID 170598343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).