2-(N-ethyl-3-hydroxyanilino)propanoic acid

C11H15NO3 — CID 107736740

IUPAC2-(N-ethyl-3-hydroxyanilino)propanoic acid
SMILESCCN(c1cccc(O)c1)C(C)C(=O)O
InChIInChI=1S/C11H15NO3/c1-3-12(8(2)11(14)15)9-5-4-6-10(13)7-9/h4-8,13H,3H2,1-2H3,(H,14,15)
InChIKeyZGFSHBKWCMBZCO-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.69
Rot. Bonds4

About 2-(N-ethyl-3-hydroxyanilino)propanoic acid

2-(N-ethyl-3-hydroxyanilino)propanoic acid (PubChem CID 107736740) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-(N-ethyl-3-hydroxyanilino)propanoic acid.

Molecular Properties

Compound Name2-(N-ethyl-3-hydroxyanilino)propanoic acid
PubChem CID107736740
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name2-(N-ethyl-3-hydroxyanilino)propanoic acid
SMILESCCN(c1cccc(O)c1)C(C)C(=O)O
InChIInChI=1S/C11H15NO3/c1-3-12(8(2)11(14)15)9-5-4-6-10(13)7-9/h4-8,13H,3H2,1-2H3,(H,14,15)
InChIKeyZGFSHBKWCMBZCO-UHFFFAOYSA-N
XLogP1.69
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(3-chloro-N-ethylanilino)propanoic acid
CID 124583979
(2S)-2-[N-ethyl-3-(trifluoromethyl)anilino]propanoic acid
CID 100520412
2-(N-ethyl-3-methylanilino)-2-(3-hydroxyphenyl)acetic acid
CID 84751400
ethyl-(3-hydroxyphenyl)carbamic acid
CID 20544636
4-[1-carboxyethyl(ethyl)amino]benzoic acid
CID 90744202
(2R)-2-(3,5-dichloro-N-ethylanilino)propanoic acid
CID 125045090
2-(N-ethyl-4-formylanilino)propanoic acid
CID 54172194
N-ethyl-N-(3-hydroxyphenyl)-3-methylbutanamide
CID 107736260
N-ethyl-N-(3-hydroxyphenyl)-2-propan-2-yloxyacetamide
CID 107736354
propan-2-yl N-ethyl-N-(3-hydroxyphenyl)carbamate
CID 107734181
2-[N-propyl-3-(trifluoromethyl)anilino]propanoic acid
CID 133150394
3-[butan-2-yl(butyl)amino]phenol
CID 67927782

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethyl-3-hydroxyanilino)propanoic acid?
The IUPAC name of 2-(N-ethyl-3-hydroxyanilino)propanoic acid (CID 107736740) is 2-(N-ethyl-3-hydroxyanilino)propanoic acid.
What is the SMILES notation for 2-(N-ethyl-3-hydroxyanilino)propanoic acid?
The canonical SMILES for 2-(N-ethyl-3-hydroxyanilino)propanoic acid is CCN(c1cccc(O)c1)C(C)C(=O)O.
What is the InChIKey of 2-(N-ethyl-3-hydroxyanilino)propanoic acid?
The InChIKey is ZGFSHBKWCMBZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-3-12(8(2)11(14)15)9-5-4-6-10(13)7-9/h4-8,13H,3H2,1-2H3,(H,14,15).
What are the key properties of 2-(N-ethyl-3-hydroxyanilino)propanoic acid?
2-(N-ethyl-3-hydroxyanilino)propanoic acid has a molecular weight of 209.25 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethyl-3-hydroxyanilino)propanoic acid is sourced from PubChem (CID 107736740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).