2-[3-(1-aminopropyl)phenyl]acetic acid

C11H15NO2 — CID 55297380

IUPAC2-[3-(1-aminopropyl)phenyl]acetic acid
SMILESCCC(N)c1cccc(CC(=O)O)c1
InChIInChI=1S/C11H15NO2/c1-2-10(12)9-5-3-4-8(6-9)7-11(13)14/h3-6,10H,2,7,12H2,1H3,(H,13,14)
InChIKeyYMXBIUZYQYYYAY-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.72
Rot. Bonds4

About 2-[3-(1-aminopropyl)phenyl]acetic acid

2-[3-(1-aminopropyl)phenyl]acetic acid (PubChem CID 55297380) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-[3-(1-aminopropyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-(1-aminopropyl)phenyl]acetic acid
PubChem CID55297380
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-[3-(1-aminopropyl)phenyl]acetic acid
SMILESCCC(N)c1cccc(CC(=O)O)c1
InChIInChI=1S/C11H15NO2/c1-2-10(12)9-5-3-4-8(6-9)7-11(13)14/h3-6,10H,2,7,12H2,1H3,(H,13,14)
InChIKeyYMXBIUZYQYYYAY-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-[(1S)-1-aminopropyl]phenyl]acetic acid
CID 55297522
2-[3-(1-aminoethyl)phenyl]acetic acid
CID 55283105
2-[3-(3-methylbutan-2-yl)phenyl]acetic acid
CID 115024785
1-[3-(1-aminopropyl)phenyl]propan-1-amine
CID 20543882
2-[3-[hydroxy(phenyl)methyl]phenyl]acetic acid
CID 150412934
3-[3-(carboxymethyl)phenyl]-2,3-dihydroxypropanoic acid
CID 170824264
2-(3-aminophenyl)acetic acid;propanoic acid
CID 175479045
2-[3-(4-amino-1,2-dihydroxy-4-oxobutyl)phenyl]acetic acid
CID 171899481
2-[3-(3-methyl-2-oxobutyl)phenyl]acetic acid
CID 21340968
3-[(1S)-1-aminopropyl]phenol;hydrochloride
CID 138989201
methyl 3-[(1R)-1-aminopropyl]benzoate
CID 55253997
3-[3-[(1R)-1,2-diaminoethyl]phenyl]propanoic acid
CID 66516947

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-aminopropyl)phenyl]acetic acid?
The IUPAC name of 2-[3-(1-aminopropyl)phenyl]acetic acid (CID 55297380) is 2-[3-(1-aminopropyl)phenyl]acetic acid.
What is the SMILES notation for 2-[3-(1-aminopropyl)phenyl]acetic acid?
The canonical SMILES for 2-[3-(1-aminopropyl)phenyl]acetic acid is CCC(N)c1cccc(CC(=O)O)c1.
What is the InChIKey of 2-[3-(1-aminopropyl)phenyl]acetic acid?
The InChIKey is YMXBIUZYQYYYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-2-10(12)9-5-3-4-8(6-9)7-11(13)14/h3-6,10H,2,7,12H2,1H3,(H,13,14).
What are the key properties of 2-[3-(1-aminopropyl)phenyl]acetic acid?
2-[3-(1-aminopropyl)phenyl]acetic acid has a molecular weight of 193.25 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-aminopropyl)phenyl]acetic acid is sourced from PubChem (CID 55297380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).