2-(3-amino-4-propylphenyl)acetic acid

C11H15NO2 — CID 68878432

IUPAC2-(3-amino-4-propylphenyl)acetic acid
SMILESCCCc1ccc(CC(=O)O)cc1N
InChIInChI=1S/C11H15NO2/c1-2-3-9-5-4-8(6-10(9)12)7-11(13)14/h4-6H,2-3,7,12H2,1H3,(H,13,14)
InChIKeyHKUDWSMHKPOHBF-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.85
Rot. Bonds4

About 2-(3-amino-4-propylphenyl)acetic acid

2-(3-amino-4-propylphenyl)acetic acid (PubChem CID 68878432) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-(3-amino-4-propylphenyl)acetic acid.

Molecular Properties

Compound Name2-(3-amino-4-propylphenyl)acetic acid
PubChem CID68878432
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-(3-amino-4-propylphenyl)acetic acid
SMILESCCCc1ccc(CC(=O)O)cc1N
InChIInChI=1S/C11H15NO2/c1-2-3-9-5-4-8(6-10(9)12)7-11(13)14/h4-6H,2-3,7,12H2,1H3,(H,13,14)
InChIKeyHKUDWSMHKPOHBF-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
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-amino-4-pentylphenyl)acetic acid
CID 123348759
2-[4-(3-amino-4-ethylphenyl)sulfanylphenyl]acetic acid
CID 91879347
2-[4-amino-3-(2-oxopropyl)phenyl]acetic acid
CID 118811989
2-(2-propyl-1-benzofuran-6-yl)acetic acid
CID 70578535
2-(3-amino-4-ethenylphenyl)acetic acid
CID 54099246
propyl 3-amino-4-propylbenzoate
CID 175274272
2-[3-amino-4-[benzyl(propyl)amino]phenyl]acetic acid
CID 165460297
2-(4-aminophenyl)acetic acid;propanoic acid
CID 175478961
5-phenyl-2-propylaniline
CID 165495824
2,5-dipropylbenzoic acid
CID 139904729
2-(2-propylphenyl)acetic acid
CID 46897017
dipotassium;2-[3-amino-4-(carboxylatomethyl)phenyl]acetate
CID 141476637

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-propylphenyl)acetic acid?
The IUPAC name of 2-(3-amino-4-propylphenyl)acetic acid (CID 68878432) is 2-(3-amino-4-propylphenyl)acetic acid.
What is the SMILES notation for 2-(3-amino-4-propylphenyl)acetic acid?
The canonical SMILES for 2-(3-amino-4-propylphenyl)acetic acid is CCCc1ccc(CC(=O)O)cc1N.
What is the InChIKey of 2-(3-amino-4-propylphenyl)acetic acid?
The InChIKey is HKUDWSMHKPOHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-2-3-9-5-4-8(6-10(9)12)7-11(13)14/h4-6H,2-3,7,12H2,1H3,(H,13,14).
What are the key properties of 2-(3-amino-4-propylphenyl)acetic acid?
2-(3-amino-4-propylphenyl)acetic acid has a molecular weight of 193.25 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-propylphenyl)acetic acid is sourced from PubChem (CID 68878432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).