4-(5-cyano-2-hydroxyphenyl)-3,4-dihydroxybutanamide

C11H12N2O4 — CID 171899303

IUPAC4-(5-cyano-2-hydroxyphenyl)-3,4-dihydroxybutanamide
SMILESN#Cc1ccc(O)c(C(O)C(O)CC(N)=O)c1
InChIInChI=1S/C11H12N2O4/c12-5-6-1-2-8(14)7(3-6)11(17)9(15)4-10(13)16/h1-3,9,11,14-15,17H,4H2,(H2,13,16)
InChIKeyIWTQMJLPIIJVLI-UHFFFAOYSA-N
MW236.23 g/mol
LogP-0.47
Rot. Bonds4

About 4-(5-cyano-2-hydroxyphenyl)-3,4-dihydroxybutanamide

4-(5-cyano-2-hydroxyphenyl)-3,4-dihydroxybutanamide (PubChem CID 171899303) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is 4-(5-cyano-2-hydroxyphenyl)-3,4-dihydroxybutanamide.

Molecular Properties

Compound Name4-(5-cyano-2-hydroxyphenyl)-3,4-dihydroxybutanamide
PubChem CID171899303
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Name4-(5-cyano-2-hydroxyphenyl)-3,4-dihydroxybutanamide
SMILESN#Cc1ccc(O)c(C(O)C(O)CC(N)=O)c1
InChIInChI=1S/C11H12N2O4/c12-5-6-1-2-8(14)7(3-6)11(17)9(15)4-10(13)16/h1-3,9,11,14-15,17H,4H2,(H2,13,16)
InChIKeyIWTQMJLPIIJVLI-UHFFFAOYSA-N
XLogP-0.47
TPSA127.57 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 5-0.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-fluoro-2-hydroxyphenyl)-3,4-dihydroxybutanamide
CID 171898776
4-(5-cyano-2-pyridinyl)-3,4-dihydroxybutanamide
CID 171898842
4-(4-chloro-2-cyanophenyl)-3,4-dihydroxybutanamide
CID 171899210
3-[(1S)-1-amino-2-hydroxyethyl]-4-hydroxybenzonitrile
CID 55262887
4-(2-chloro-4-cyanophenyl)-3,4-dihydroxybutanoic acid
CID 171877695
ethyl 4-(4-cyano-2-methylphenyl)-3,4-dihydroxybutanoate
CID 171897439
3-[(1R)-1-aminoethyl]-4-hydroxybenzonitrile
CID 121233508
ethyl 4-(4-cyano-2-fluorophenyl)-3,4-dihydroxybutanoate
CID 171897408
3-[(1S)-1,3-diaminopropyl]-4-hydroxybenzonitrile;hydrochloride
CID 171254106
4-[5-(cyanomethyl)-2-fluorophenyl]-3,4-dihydroxybutanamide
CID 171899586
3,4-dihydroxy-4-(4-hydroxy-2-methylphenyl)butanamide
CID 171898796
3,4-dihydroxy-4-naphthalen-1-ylbutanamide
CID 171899361

Frequently Asked Questions

What is the IUPAC name of 4-(5-cyano-2-hydroxyphenyl)-3,4-dihydroxybutanamide?
The IUPAC name of 4-(5-cyano-2-hydroxyphenyl)-3,4-dihydroxybutanamide (CID 171899303) is 4-(5-cyano-2-hydroxyphenyl)-3,4-dihydroxybutanamide.
What is the SMILES notation for 4-(5-cyano-2-hydroxyphenyl)-3,4-dihydroxybutanamide?
The canonical SMILES for 4-(5-cyano-2-hydroxyphenyl)-3,4-dihydroxybutanamide is N#Cc1ccc(O)c(C(O)C(O)CC(N)=O)c1.
What is the InChIKey of 4-(5-cyano-2-hydroxyphenyl)-3,4-dihydroxybutanamide?
The InChIKey is IWTQMJLPIIJVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c12-5-6-1-2-8(14)7(3-6)11(17)9(15)4-10(13)16/h1-3,9,11,14-15,17H,4H2,(H2,13,16).
What are the key properties of 4-(5-cyano-2-hydroxyphenyl)-3,4-dihydroxybutanamide?
4-(5-cyano-2-hydroxyphenyl)-3,4-dihydroxybutanamide has a molecular weight of 236.23 g/mol, XLogP of -0.47, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyano-2-hydroxyphenyl)-3,4-dihydroxybutanamide is sourced from PubChem (CID 171899303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).