2-(2-aminoethyl)nonanoic acid

C11H23NO2 — CID 104680899

IUPAC2-(2-aminoethyl)nonanoic acid
SMILESCCCCCCCC(CCN)C(=O)O
InChIInChI=1S/C11H23NO2/c1-2-3-4-5-6-7-10(8-9-12)11(13)14/h10H,2-9,12H2,1H3,(H,13,14)
InChIKeyPLVMBGSMIWNCOL-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.40
Rot. Bonds9

About 2-(2-aminoethyl)nonanoic acid

2-(2-aminoethyl)nonanoic acid (PubChem CID 104680899) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-(2-aminoethyl)nonanoic acid.

Molecular Properties

Compound Name2-(2-aminoethyl)nonanoic acid
PubChem CID104680899
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name2-(2-aminoethyl)nonanoic acid
SMILESCCCCCCCC(CCN)C(=O)O
InChIInChI=1S/C11H23NO2/c1-2-3-4-5-6-7-10(8-9-12)11(13)14/h10H,2-9,12H2,1H3,(H,13,14)
InChIKeyPLVMBGSMIWNCOL-UHFFFAOYSA-N
XLogP2.40
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.40
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

2-(2-aminoethyl)octadecanoic acid
CID 54025424
2-pentyldodecanoic acid
CID 18521426
2-undecylhexadecanoic acid
CID 139670823
2-hexylpentacosanoic acid
CID 158257677
2-nonylpentadecanoic acid
CID 139605044
2-heptadecylicosanoic acid
CID 57459073
2-nonyldodecanoic acid
CID 57283654
2-dodecyloctacosanoic acid
CID 90897371
2-dodecyldotriacontanoic acid
CID 90853745
2-dodecylhexadecanoic acid;2-dodecylicosanoic acid;2-dodecyloctadecanoic acid;2-hexadecyloctadecanoic acid;2-tetradecylhexadecanoic acid;2-tetradecyloctadecanoic acid
CID 173164625
(2S)-2-heptyldecanoic acid
CID 171991627
2-hexylnonanoic acid
CID 18521424

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)nonanoic acid?
The IUPAC name of 2-(2-aminoethyl)nonanoic acid (CID 104680899) is 2-(2-aminoethyl)nonanoic acid.
What is the SMILES notation for 2-(2-aminoethyl)nonanoic acid?
The canonical SMILES for 2-(2-aminoethyl)nonanoic acid is CCCCCCCC(CCN)C(=O)O.
What is the InChIKey of 2-(2-aminoethyl)nonanoic acid?
The InChIKey is PLVMBGSMIWNCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-2-3-4-5-6-7-10(8-9-12)11(13)14/h10H,2-9,12H2,1H3,(H,13,14).
What are the key properties of 2-(2-aminoethyl)nonanoic acid?
2-(2-aminoethyl)nonanoic acid has a molecular weight of 201.31 g/mol, XLogP of 2.40, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)nonanoic acid is sourced from PubChem (CID 104680899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).