11-aminoundecanoic acid;ethane

C13H29NO2 — CID 144914161

IUPAC11-aminoundecanoic acid;ethane
SMILESCC.NCCCCCCCCCCC(=O)O
InChIInChI=1S/C11H23NO2.C2H6/c12-10-8-6-4-2-1-3-5-7-9-11(13)14;1-2/h1-10,12H2,(H,13,14);1-2H3
InChIKeyGJPCDFMNRDAJMX-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.57
Rot. Bonds10

About 11-aminoundecanoic acid;ethane

11-aminoundecanoic acid;ethane (PubChem CID 144914161) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is 11-aminoundecanoic acid;ethane.

Molecular Properties

Compound Name11-aminoundecanoic acid;ethane
PubChem CID144914161
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC Name11-aminoundecanoic acid;ethane
SMILESCC.NCCCCCCCCCCC(=O)O
InChIInChI=1S/C11H23NO2.C2H6/c12-10-8-6-4-2-1-3-5-7-9-11(13)14;1-2/h1-10,12H2,(H,13,14);1-2H3
InChIKeyGJPCDFMNRDAJMX-UHFFFAOYSA-N
XLogP3.57
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-aminohexanoic acid;ethane;molecular hydrogen
CID 143775887
heptanedioic acid;hexane-1,6-diamine
CID 174639050
nonanedioic acid;tridecane-1,13-diamine
CID 21330241
6-aminohexanoic acid;zinc
CID 175049463
12-aminododecanoic acid;hydrochloride
CID 12651573
azane;decanedioic acid;hexane-1,6-diamine;hexanedioic acid
CID 173314981
6-aminohexanoic acid;3-aminopropanoic acid
CID 87186200
12-aminododecanoic acid;carbamic acid
CID 157488032
acetylene;6-aminohexanoic acid
CID 143110448
icosan-1-amine;octadecanoic acid
CID 174740583
pentan-1-amine;tetradecanoic acid
CID 174809000
decan-1-amine;dodecanoic acid
CID 173305256

Frequently Asked Questions

What is the IUPAC name of 11-aminoundecanoic acid;ethane?
The IUPAC name of 11-aminoundecanoic acid;ethane (CID 144914161) is 11-aminoundecanoic acid;ethane.
What is the SMILES notation for 11-aminoundecanoic acid;ethane?
The canonical SMILES for 11-aminoundecanoic acid;ethane is CC.NCCCCCCCCCCC(=O)O.
What is the InChIKey of 11-aminoundecanoic acid;ethane?
The InChIKey is GJPCDFMNRDAJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2.C2H6/c12-10-8-6-4-2-1-3-5-7-9-11(13)14;1-2/h1-10,12H2,(H,13,14);1-2H3.
What are the key properties of 11-aminoundecanoic acid;ethane?
11-aminoundecanoic acid;ethane has a molecular weight of 231.38 g/mol, XLogP of 3.57, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-aminoundecanoic acid;ethane is sourced from PubChem (CID 144914161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).