5-anilinopentanoic acid

C11H15NO2 — CID 28972030

IUPAC5-anilinopentanoic acid
SMILESO=C(O)CCCCNc1ccccc1
InChIInChI=1S/C11H15NO2/c13-11(14)8-4-5-9-12-10-6-2-1-3-7-10/h1-3,6-7,12H,4-5,8-9H2,(H,13,14)
InChIKeyASHJNTJIYPHTFN-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.35
Rot. Bonds6

About 5-anilinopentanoic acid

5-anilinopentanoic acid (PubChem CID 28972030) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 5-anilinopentanoic acid.

Molecular Properties

Compound Name5-anilinopentanoic acid
PubChem CID28972030
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name5-anilinopentanoic acid
SMILESO=C(O)CCCCNc1ccccc1
InChIInChI=1S/C11H15NO2/c13-11(14)8-4-5-9-12-10-6-2-1-3-7-10/h1-3,6-7,12H,4-5,8-9H2,(H,13,14)
InChIKeyASHJNTJIYPHTFN-UHFFFAOYSA-N
XLogP2.35
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.35
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

4-[4-anilinobutyl(methyl)amino]butanoic acid
CID 141217788
5-(pyridin-3-ylamino)pentanoic acid
CID 102421086
5-(naphthalen-2-ylamino)pentanoic acid
CID 28972022
6-(naphthalen-2-ylamino)hexanoic acid
CID 14979105
4-anilinobutanamide
CID 67066705
3-(4-anilinoanilino)propanoic acid
CID 54336200
5-(4-nitroanilino)pentanoic acid
CID 28972234
4-[4-(benzenesulfonyl)anilino]butanoic acid
CID 90075907
5-(1H-pyrrol-3-ylamino)pentanoic acid
CID 115218878
5-(3,4-difluoroanilino)pentanoic acid
CID 28972140
5-(2-bromoanilino)pentanoic acid
CID 28972032
5-[4-(diethylamino)anilino]pentanoic acid
CID 63180274

Frequently Asked Questions

What is the IUPAC name of 5-anilinopentanoic acid?
The IUPAC name of 5-anilinopentanoic acid (CID 28972030) is 5-anilinopentanoic acid.
What is the SMILES notation for 5-anilinopentanoic acid?
The canonical SMILES for 5-anilinopentanoic acid is O=C(O)CCCCNc1ccccc1.
What is the InChIKey of 5-anilinopentanoic acid?
The InChIKey is ASHJNTJIYPHTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c13-11(14)8-4-5-9-12-10-6-2-1-3-7-10/h1-3,6-7,12H,4-5,8-9H2,(H,13,14).
What are the key properties of 5-anilinopentanoic acid?
5-anilinopentanoic acid has a molecular weight of 193.25 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-anilinopentanoic acid is sourced from PubChem (CID 28972030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).