2-[N-(azet-2-yl)-4-hydroxyanilino]-3-phenylpropanoic acid

C18H16N2O3 — CID 118597342

IUPAC2-[N-(azet-2-yl)-4-hydroxyanilino]-3-phenylpropanoic acid
SMILESO=C(O)C(Cc1ccccc1)N(C1=NC=C1)c1ccc(O)cc1
InChIInChI=1S/C18H16N2O3/c21-15-8-6-14(7-9-15)20(17-10-11-19-17)16(18(22)23)12-13-4-2-1-3-5-13/h1-11,16,21H,12H2,(H,22,23)
InChIKeyYEUKWUDGJJBPRV-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.82
Rot. Bonds5

About 2-[N-(azet-2-yl)-4-hydroxyanilino]-3-phenylpropanoic acid

2-[N-(azet-2-yl)-4-hydroxyanilino]-3-phenylpropanoic acid (PubChem CID 118597342) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-[N-(azet-2-yl)-4-hydroxyanilino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-[N-(azet-2-yl)-4-hydroxyanilino]-3-phenylpropanoic acid
PubChem CID118597342
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name2-[N-(azet-2-yl)-4-hydroxyanilino]-3-phenylpropanoic acid
SMILESO=C(O)C(Cc1ccccc1)N(C1=NC=C1)c1ccc(O)cc1
InChIInChI=1S/C18H16N2O3/c21-15-8-6-14(7-9-15)20(17-10-11-19-17)16(18(22)23)12-13-4-2-1-3-5-13/h1-11,16,21H,12H2,(H,22,23)
InChIKeyYEUKWUDGJJBPRV-UHFFFAOYSA-N
XLogP2.82
TPSA73.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[N-(azet-2-yl)anilino]-3-(4-hydroxyphenyl)propanoic acid
CID 118597344
2-(dibenzylamino)-3-(4-hydroxyphenyl)propanoic acid
CID 174607975
2-(dihydroxyamino)-3-phenylpropanoic acid
CID 22141935
CID 160513351
CID 160513351
(2S)-2-(dichloroamino)-3-(4-hydroxyphenyl)propanoic acid
CID 54511156
(2S)-2-[bis(methylamino)amino]-3-phenylpropanoic acid
CID 156761837
(2S)-2-[bis(sulfanyl)amino]-3-phenylpropanoic acid
CID 88617748
sodium 2-[bis(carboxymethyl)amino]-3-phenylpropanoic acid
CID 20524802
(2S)-2-(diiodoamino)-3-(4-hydroxyphenyl)propanoic acid;methane
CID 118519695
(2S)-2-(N-carboxyanilino)-3-phenylpropanoic acid
CID 151199694
(2S)-2-(4-benzoyl-N-benzylanilino)-3-phenylpropanoic acid
CID 18652524
(2S)-2-[amino(fluoro)amino]-3-phenylpropanoic acid
CID 174662660

Frequently Asked Questions

What is the IUPAC name of 2-[N-(azet-2-yl)-4-hydroxyanilino]-3-phenylpropanoic acid?
The IUPAC name of 2-[N-(azet-2-yl)-4-hydroxyanilino]-3-phenylpropanoic acid (CID 118597342) is 2-[N-(azet-2-yl)-4-hydroxyanilino]-3-phenylpropanoic acid.
What is the SMILES notation for 2-[N-(azet-2-yl)-4-hydroxyanilino]-3-phenylpropanoic acid?
The canonical SMILES for 2-[N-(azet-2-yl)-4-hydroxyanilino]-3-phenylpropanoic acid is O=C(O)C(Cc1ccccc1)N(C1=NC=C1)c1ccc(O)cc1.
What is the InChIKey of 2-[N-(azet-2-yl)-4-hydroxyanilino]-3-phenylpropanoic acid?
The InChIKey is YEUKWUDGJJBPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c21-15-8-6-14(7-9-15)20(17-10-11-19-17)16(18(22)23)12-13-4-2-1-3-5-13/h1-11,16,21H,12H2,(H,22,23).
What are the key properties of 2-[N-(azet-2-yl)-4-hydroxyanilino]-3-phenylpropanoic acid?
2-[N-(azet-2-yl)-4-hydroxyanilino]-3-phenylpropanoic acid has a molecular weight of 308.34 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(azet-2-yl)-4-hydroxyanilino]-3-phenylpropanoic acid is sourced from PubChem (CID 118597342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).