5-(5-ethyl-2-methoxyanilino)pentanoic acid

C14H21NO3 — CID 115218873

IUPAC5-(5-ethyl-2-methoxyanilino)pentanoic acid
SMILESCCc1ccc(OC)c(NCCCCC(=O)O)c1
InChIInChI=1S/C14H21NO3/c1-3-11-7-8-13(18-2)12(10-11)15-9-5-4-6-14(16)17/h7-8,10,15H,3-6,9H2,1-2H3,(H,16,17)
InChIKeyGSZVFDHBEKOHAR-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.92
Rot. Bonds8

About 5-(5-ethyl-2-methoxyanilino)pentanoic acid

5-(5-ethyl-2-methoxyanilino)pentanoic acid (PubChem CID 115218873) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-(5-ethyl-2-methoxyanilino)pentanoic acid.

Molecular Properties

Compound Name5-(5-ethyl-2-methoxyanilino)pentanoic acid
PubChem CID115218873
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name5-(5-ethyl-2-methoxyanilino)pentanoic acid
SMILESCCc1ccc(OC)c(NCCCCC(=O)O)c1
InChIInChI=1S/C14H21NO3/c1-3-11-7-8-13(18-2)12(10-11)15-9-5-4-6-14(16)17/h7-8,10,15H,3-6,9H2,1-2H3,(H,16,17)
InChIKeyGSZVFDHBEKOHAR-UHFFFAOYSA-N
XLogP2.92
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-2-methoxy-N-(2-methoxyethyl)aniline
CID 98783313
2-(5-ethyl-2-methoxyanilino)ethanethiol
CID 115223657
N-(2-chloroethyl)-5-ethyl-2-methoxyaniline
CID 115214591
4-(2,4-dimethoxy-3-methylanilino)butanoic acid
CID 115218452
4-(3-ethyl-4-methoxyanilino)butanoic acid
CID 115218434
N-(bromomethyl)-5-ethyl-2-methoxyaniline
CID 115261556
N'-(5-ethyl-2-methoxyphenyl)-N-methylmethanediamine
CID 115226519
2-[(5-ethyl-2-methoxyphenyl)carbamoylamino]acetic acid
CID 82499428
N-(5-ethyl-2-methoxyphenyl)propanamide
CID 110777230
3-(5-ethyl-2-methoxyphenyl)propanoic acid
CID 82126594
3-(5-acetamido-2-methoxyanilino)propanoic acid
CID 54299266
5-(4-methoxy-3-propan-2-ylanilino)pentanoic acid
CID 115218860

Frequently Asked Questions

What is the IUPAC name of 5-(5-ethyl-2-methoxyanilino)pentanoic acid?
The IUPAC name of 5-(5-ethyl-2-methoxyanilino)pentanoic acid (CID 115218873) is 5-(5-ethyl-2-methoxyanilino)pentanoic acid.
What is the SMILES notation for 5-(5-ethyl-2-methoxyanilino)pentanoic acid?
The canonical SMILES for 5-(5-ethyl-2-methoxyanilino)pentanoic acid is CCc1ccc(OC)c(NCCCCC(=O)O)c1.
What is the InChIKey of 5-(5-ethyl-2-methoxyanilino)pentanoic acid?
The InChIKey is GSZVFDHBEKOHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-3-11-7-8-13(18-2)12(10-11)15-9-5-4-6-14(16)17/h7-8,10,15H,3-6,9H2,1-2H3,(H,16,17).
What are the key properties of 5-(5-ethyl-2-methoxyanilino)pentanoic acid?
5-(5-ethyl-2-methoxyanilino)pentanoic acid has a molecular weight of 251.33 g/mol, XLogP of 2.92, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethyl-2-methoxyanilino)pentanoic acid is sourced from PubChem (CID 115218873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).