2-[4-(2-hydroxyethyl)anilino]propanoic acid

C11H15NO3 — CID 66174351

IUPAC2-[4-(2-hydroxyethyl)anilino]propanoic acid
SMILESCC(Nc1ccc(CCO)cc1)C(=O)O
InChIInChI=1S/C11H15NO3/c1-8(11(14)15)12-10-4-2-9(3-5-10)6-7-13/h2-5,8,12-13H,6-7H2,1H3,(H,14,15)
InChIKeyTWOBBBUGSWUPDL-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.11
Rot. Bonds5

About 2-[4-(2-hydroxyethyl)anilino]propanoic acid

2-[4-(2-hydroxyethyl)anilino]propanoic acid (PubChem CID 66174351) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)anilino]propanoic acid.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)anilino]propanoic acid
PubChem CID66174351
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name2-[4-(2-hydroxyethyl)anilino]propanoic acid
SMILESCC(Nc1ccc(CCO)cc1)C(=O)O
InChIInChI=1S/C11H15NO3/c1-8(11(14)15)12-10-4-2-9(3-5-10)6-7-13/h2-5,8,12-13H,6-7H2,1H3,(H,14,15)
InChIKeyTWOBBBUGSWUPDL-UHFFFAOYSA-N
XLogP1.11
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-amino-2-oxoethyl)anilino]propanoic acid
CID 66173321
(2S)-2-(4-propan-2-ylanilino)propanoic acid
CID 40788300
4-[[(1R)-1-carboxyethyl]amino]benzoic acid
CID 45089845
2-anilinopropanoic acid;hydrochloride
CID 19096756
3-(4-butylanilino)butan-2-one
CID 102224780
2-[4-(pentan-2-ylamino)phenyl]ethanol
CID 61237126
N-[4-(2-hydroxyethyl)phenyl]acetamide
CID 3295905
2-[4-(heptan-4-ylamino)phenyl]ethanol
CID 61236944
2-[4-[1-(4-propan-2-ylphenyl)ethylamino]phenyl]ethanol
CID 61236945
(2S)-2-(4-benzoylanilino)propanoic acid
CID 54396122
(2S)-2-(4-sulfoanilino)propanoic acid
CID 87320516
2-(4-phenylmethoxyanilino)propanoic acid
CID 22078170

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethyl)anilino]propanoic acid?
The IUPAC name of 2-[4-(2-hydroxyethyl)anilino]propanoic acid (CID 66174351) is 2-[4-(2-hydroxyethyl)anilino]propanoic acid.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)anilino]propanoic acid?
The canonical SMILES for 2-[4-(2-hydroxyethyl)anilino]propanoic acid is CC(Nc1ccc(CCO)cc1)C(=O)O.
What is the InChIKey of 2-[4-(2-hydroxyethyl)anilino]propanoic acid?
The InChIKey is TWOBBBUGSWUPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-8(11(14)15)12-10-4-2-9(3-5-10)6-7-13/h2-5,8,12-13H,6-7H2,1H3,(H,14,15).
What are the key properties of 2-[4-(2-hydroxyethyl)anilino]propanoic acid?
2-[4-(2-hydroxyethyl)anilino]propanoic acid has a molecular weight of 209.25 g/mol, XLogP of 1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethyl)anilino]propanoic acid is sourced from PubChem (CID 66174351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).