2-[1-(4-hydroxyphenyl)propylamino]propanoic acid

C12H17NO3 — CID 61499813

IUPAC2-[1-(4-hydroxyphenyl)propylamino]propanoic acid
SMILESCCC(NC(C)C(=O)O)c1ccc(O)cc1
InChIInChI=1S/C12H17NO3/c1-3-11(13-8(2)12(15)16)9-4-6-10(14)7-5-9/h4-8,11,13-14H,3H2,1-2H3,(H,15,16)
InChIKeyUVNDMGJCXOWRGL-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.91
Rot. Bonds5

About 2-[1-(4-hydroxyphenyl)propylamino]propanoic acid

2-[1-(4-hydroxyphenyl)propylamino]propanoic acid (PubChem CID 61499813) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-[1-(4-hydroxyphenyl)propylamino]propanoic acid.

Molecular Properties

Compound Name2-[1-(4-hydroxyphenyl)propylamino]propanoic acid
PubChem CID61499813
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-[1-(4-hydroxyphenyl)propylamino]propanoic acid
SMILESCCC(NC(C)C(=O)O)c1ccc(O)cc1
InChIInChI=1S/C12H17NO3/c1-3-11(13-8(2)12(15)16)9-4-6-10(14)7-5-9/h4-8,11,13-14H,3H2,1-2H3,(H,15,16)
InChIKeyUVNDMGJCXOWRGL-UHFFFAOYSA-N
XLogP1.91
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(1-phenylpropylamino)propanoic acid
CID 90916236
2-[1-(4-hydroxyphenyl)propylamino]-1-piperidin-1-ylpropan-1-one
CID 60930878
4-[1-[[(1S)-1-(4-methylphenyl)ethyl]amino]propyl]phenol
CID 81349500
2-(4-hydroxyphenyl)-3-methylpentanoic acid
CID 83820428
2-[1-(5-bromo-2-hydroxyphenyl)propylamino]propanoic acid
CID 54959622
(2S)-2-[[(1R)-1-(4-bromophenyl)propyl]amino]propanamide
CID 8643345
ethyl 2-[1-(4-methylphenyl)propylamino]propanoate
CID 54960073
4-[1-(2,2-dimethylhydrazinyl)propyl]phenol
CID 83005849
4-[1-[[(1S)-1-(3-bromophenyl)ethyl]amino]propyl]phenol
CID 81381060
4-[1-[2-(dimethylamino)propylamino]propyl]phenol
CID 54913241
4-[1-(1-thiophen-3-ylethylamino)propyl]phenol
CID 62840966
2-[1-(4-bromophenyl)propylamino]-N-methylpropanamide
CID 60673174

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-hydroxyphenyl)propylamino]propanoic acid?
The IUPAC name of 2-[1-(4-hydroxyphenyl)propylamino]propanoic acid (CID 61499813) is 2-[1-(4-hydroxyphenyl)propylamino]propanoic acid.
What is the SMILES notation for 2-[1-(4-hydroxyphenyl)propylamino]propanoic acid?
The canonical SMILES for 2-[1-(4-hydroxyphenyl)propylamino]propanoic acid is CCC(NC(C)C(=O)O)c1ccc(O)cc1.
What is the InChIKey of 2-[1-(4-hydroxyphenyl)propylamino]propanoic acid?
The InChIKey is UVNDMGJCXOWRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-3-11(13-8(2)12(15)16)9-4-6-10(14)7-5-9/h4-8,11,13-14H,3H2,1-2H3,(H,15,16).
What are the key properties of 2-[1-(4-hydroxyphenyl)propylamino]propanoic acid?
2-[1-(4-hydroxyphenyl)propylamino]propanoic acid has a molecular weight of 223.27 g/mol, XLogP of 1.91, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-hydroxyphenyl)propylamino]propanoic acid is sourced from PubChem (CID 61499813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).