2-benzyl-5-[formyl(methyl)amino]pentanoic acid

C14H19NO3 — CID 155381184

IUPAC2-benzyl-5-[formyl(methyl)amino]pentanoic acid
SMILESCN(C=O)CCCC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C14H19NO3/c1-15(11-16)9-5-8-13(14(17)18)10-12-6-3-2-4-7-12/h2-4,6-7,11,13H,5,8-10H2,1H3,(H,17,18)
InChIKeyFXTNNYIYXKXONO-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.80
Rot. Bonds8

About 2-benzyl-5-[formyl(methyl)amino]pentanoic acid

2-benzyl-5-[formyl(methyl)amino]pentanoic acid (PubChem CID 155381184) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-benzyl-5-[formyl(methyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-benzyl-5-[formyl(methyl)amino]pentanoic acid
PubChem CID155381184
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-benzyl-5-[formyl(methyl)amino]pentanoic acid
SMILESCN(C=O)CCCC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C14H19NO3/c1-15(11-16)9-5-8-13(14(17)18)10-12-6-3-2-4-7-12/h2-4,6-7,11,13H,5,8-10H2,1H3,(H,17,18)
InChIKeyFXTNNYIYXKXONO-UHFFFAOYSA-N
XLogP1.80
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-[formyl(methyl)amino]pentanoic acid?
The IUPAC name of 2-benzyl-5-[formyl(methyl)amino]pentanoic acid (CID 155381184) is 2-benzyl-5-[formyl(methyl)amino]pentanoic acid.
What is the SMILES notation for 2-benzyl-5-[formyl(methyl)amino]pentanoic acid?
The canonical SMILES for 2-benzyl-5-[formyl(methyl)amino]pentanoic acid is CN(C=O)CCCC(Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-benzyl-5-[formyl(methyl)amino]pentanoic acid?
The InChIKey is FXTNNYIYXKXONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-15(11-16)9-5-8-13(14(17)18)10-12-6-3-2-4-7-12/h2-4,6-7,11,13H,5,8-10H2,1H3,(H,17,18).
What are the key properties of 2-benzyl-5-[formyl(methyl)amino]pentanoic acid?
2-benzyl-5-[formyl(methyl)amino]pentanoic acid has a molecular weight of 249.31 g/mol, XLogP of 1.80, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-[formyl(methyl)amino]pentanoic acid is sourced from PubChem (CID 155381184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).