3,4-dihydroxy-4-(1H-indol-4-yl)butanamide

C12H14N2O3 — CID 171899347

IUPAC3,4-dihydroxy-4-(1H-indol-4-yl)butanamide
SMILESNC(=O)CC(O)C(O)c1cccc2[nH]ccc12
InChIInChI=1S/C12H14N2O3/c13-11(16)6-10(15)12(17)8-2-1-3-9-7(8)4-5-14-9/h1-5,10,12,14-15,17H,6H2,(H2,13,16)
InChIKeyOFYVXVKHPNQASU-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.44
Rot. Bonds4

About 3,4-dihydroxy-4-(1H-indol-4-yl)butanamide

3,4-dihydroxy-4-(1H-indol-4-yl)butanamide (PubChem CID 171899347) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 3,4-dihydroxy-4-(1H-indol-4-yl)butanamide.

Molecular Properties

Compound Name3,4-dihydroxy-4-(1H-indol-4-yl)butanamide
PubChem CID171899347
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name3,4-dihydroxy-4-(1H-indol-4-yl)butanamide
SMILESNC(=O)CC(O)C(O)c1cccc2[nH]ccc12
InChIInChI=1S/C12H14N2O3/c13-11(16)6-10(15)12(17)8-2-1-3-9-7(8)4-5-14-9/h1-5,10,12,14-15,17H,6H2,(H2,13,16)
InChIKeyOFYVXVKHPNQASU-UHFFFAOYSA-N
XLogP0.44
TPSA99.34 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydroxy-4-(1H-indol-4-yl)butanenitrile
CID 171901139
3,4-dihydroxy-4-naphthalen-1-ylbutanamide
CID 171899361
(1R,2S)-2-amino-1-(1H-indol-4-yl)propan-1-ol
CID 94841904
2-amino-1-(1H-indol-4-yl)ethanol
CID 13186941
2-ethyl-1-(1H-indol-4-yl)butan-1-ol
CID 115351832
4-(3-formyl-1H-indol-4-yl)-3,4-dihydroxybutanamide
CID 171899970
1-(1H-indol-4-yl)-2,4-dimethylpentan-1-ol
CID 114200544
4-(2,3-dimethylphenyl)-3,4-dihydroxybutanamide
CID 171898729
2-amino-2-(1H-indol-4-yl)ethanol
CID 55282534
1-amino-1-(1H-indol-4-yl)propan-2-one
CID 55270275
3-amino-1-(1H-indol-4-yl)propan-1-ol
CID 54551349
4-(2-amino-3-methylphenyl)-3,4-dihydroxybutanamide
CID 171898907

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-4-(1H-indol-4-yl)butanamide?
The IUPAC name of 3,4-dihydroxy-4-(1H-indol-4-yl)butanamide (CID 171899347) is 3,4-dihydroxy-4-(1H-indol-4-yl)butanamide.
What is the SMILES notation for 3,4-dihydroxy-4-(1H-indol-4-yl)butanamide?
The canonical SMILES for 3,4-dihydroxy-4-(1H-indol-4-yl)butanamide is NC(=O)CC(O)C(O)c1cccc2[nH]ccc12.
What is the InChIKey of 3,4-dihydroxy-4-(1H-indol-4-yl)butanamide?
The InChIKey is OFYVXVKHPNQASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c13-11(16)6-10(15)12(17)8-2-1-3-9-7(8)4-5-14-9/h1-5,10,12,14-15,17H,6H2,(H2,13,16).
What are the key properties of 3,4-dihydroxy-4-(1H-indol-4-yl)butanamide?
3,4-dihydroxy-4-(1H-indol-4-yl)butanamide has a molecular weight of 234.25 g/mol, XLogP of 0.44, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-4-(1H-indol-4-yl)butanamide is sourced from PubChem (CID 171899347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).