2-(3-aminophenyl)pentanoic acid

C11H15NO2 — CID 119088607

IUPAC2-(3-aminophenyl)pentanoic acid
SMILESCCCC(C(=O)O)c1cccc(N)c1
InChIInChI=1S/C11H15NO2/c1-2-4-10(11(13)14)8-5-3-6-9(12)7-8/h3,5-7,10H,2,4,12H2,1H3,(H,13,14)
InChIKeyNWJBBCXBSKTXIW-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.24
Rot. Bonds4

About 2-(3-aminophenyl)pentanoic acid

2-(3-aminophenyl)pentanoic acid (PubChem CID 119088607) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-(3-aminophenyl)pentanoic acid.

Molecular Properties

Compound Name2-(3-aminophenyl)pentanoic acid
PubChem CID119088607
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-(3-aminophenyl)pentanoic acid
SMILESCCCC(C(=O)O)c1cccc(N)c1
InChIInChI=1S/C11H15NO2/c1-2-4-10(11(13)14)8-5-3-6-9(12)7-8/h3,5-7,10H,2,4,12H2,1H3,(H,13,14)
InChIKeyNWJBBCXBSKTXIW-UHFFFAOYSA-N
XLogP2.24
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-cyanophenyl)pentanoic acid
CID 83042428
1,2-bis(3-aminophenyl)hexadecan-1-one
CID 154699268
3-(1-chlorobutyl)aniline
CID 70127245
bis[2-(3-phenoxyphenyl)pentanoyloxy]alumanylium
CID 21416898
2-(3-aminophenyl)-3-oxobutanoic acid
CID 141079800
2-[3-[methyl(2-phenylethyl)carbamoyl]phenyl]pentanoic acid
CID 141080062
(2R)-2-(3-aminophenyl)-2-methoxyacetic acid
CID 67007354
2-(3-aminophenyl)-3,3-dimethylbutanoic acid
CID 151643541
2-(3-sulfanylphenyl)decanoic acid
CID 150411220
1-(3-aminophenoxy)butan-1-ol
CID 173226029
4-amino-4-(3-aminophenyl)butanoic acid
CID 55296717
(2S)-5-amino-2-(3-methylphenyl)-5-oxopentanoic acid
CID 176716064

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)pentanoic acid?
The IUPAC name of 2-(3-aminophenyl)pentanoic acid (CID 119088607) is 2-(3-aminophenyl)pentanoic acid.
What is the SMILES notation for 2-(3-aminophenyl)pentanoic acid?
The canonical SMILES for 2-(3-aminophenyl)pentanoic acid is CCCC(C(=O)O)c1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)pentanoic acid?
The InChIKey is NWJBBCXBSKTXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-2-4-10(11(13)14)8-5-3-6-9(12)7-8/h3,5-7,10H,2,4,12H2,1H3,(H,13,14).
What are the key properties of 2-(3-aminophenyl)pentanoic acid?
2-(3-aminophenyl)pentanoic acid has a molecular weight of 193.25 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)pentanoic acid is sourced from PubChem (CID 119088607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).