2-(benzylamino)nonanoic acid

C16H25NO2 — CID 54889620

IUPAC2-(benzylamino)nonanoic acid
SMILESCCCCCCCC(NCc1ccccc1)C(=O)O
InChIInChI=1S/C16H25NO2/c1-2-3-4-5-9-12-15(16(18)19)17-13-14-10-7-6-8-11-14/h6-8,10-11,15,17H,2-5,9,12-13H2,1H3,(H,18,19)
InChIKeyIEIFGZLKPAUFTH-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.59
Rot. Bonds10

About 2-(benzylamino)nonanoic acid

2-(benzylamino)nonanoic acid (PubChem CID 54889620) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(benzylamino)nonanoic acid.

Molecular Properties

Compound Name2-(benzylamino)nonanoic acid
PubChem CID54889620
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-(benzylamino)nonanoic acid
SMILESCCCCCCCC(NCc1ccccc1)C(=O)O
InChIInChI=1S/C16H25NO2/c1-2-3-4-5-9-12-15(16(18)19)17-13-14-10-7-6-8-11-14/h6-8,10-11,15,17H,2-5,9,12-13H2,1H3,(H,18,19)
InChIKeyIEIFGZLKPAUFTH-UHFFFAOYSA-N
XLogP3.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.59
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

(2R)-2-(benzylamino)hexanoic acid
CID 129366307
(2S)-6-amino-2-(benzylamino)-N-decylhexanamide
CID 134231394
tert-butyl 2-(benzylamino)decanoate
CID 162010682
2-(pyridin-4-ylmethylamino)hexanoic acid
CID 103236246
(2R)-2-(phenacylamino)hexadecanoic acid
CID 153409524
2-(benzylamino)-5-methylsulfanylpentanoic acid
CID 103089278
acetyl chloride;6-amino-2-(benzylamino)hexanoic acid
CID 174530282
4-(benzylamino)-2-hydroxy-2-methyloctan-3-one
CID 14791550
N-benzyltridecan-6-amine
CID 166644944
2-[(2-phenylpyrimidin-5-yl)methylamino]hexanoic acid
CID 91671248
(2S)-2-[[4-(4-chlorophenyl)phenyl]methylamino]hexanoic acid
CID 122044665
2-[2-(1-carboxynonylamino)ethylamino]decanoic acid
CID 86120299

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)nonanoic acid?
The IUPAC name of 2-(benzylamino)nonanoic acid (CID 54889620) is 2-(benzylamino)nonanoic acid.
What is the SMILES notation for 2-(benzylamino)nonanoic acid?
The canonical SMILES for 2-(benzylamino)nonanoic acid is CCCCCCCC(NCc1ccccc1)C(=O)O.
What is the InChIKey of 2-(benzylamino)nonanoic acid?
The InChIKey is IEIFGZLKPAUFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-2-3-4-5-9-12-15(16(18)19)17-13-14-10-7-6-8-11-14/h6-8,10-11,15,17H,2-5,9,12-13H2,1H3,(H,18,19).
What are the key properties of 2-(benzylamino)nonanoic acid?
2-(benzylamino)nonanoic acid has a molecular weight of 263.38 g/mol, XLogP of 3.59, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)nonanoic acid is sourced from PubChem (CID 54889620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).