2-amino-3-(1-benzofuran-3-yl)propanamide

C11H12N2O2 — CID 116850913

IUPAC2-amino-3-(1-benzofuran-3-yl)propanamide
SMILESNC(=O)C(N)Cc1coc2ccccc12
InChIInChI=1S/C11H12N2O2/c12-9(11(13)14)5-7-6-15-10-4-2-1-3-8(7)10/h1-4,6,9H,5,12H2,(H2,13,14)
InChIKeyMHDPODYAOPMPHZ-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.79
Rot. Bonds3

About 2-amino-3-(1-benzofuran-3-yl)propanamide

2-amino-3-(1-benzofuran-3-yl)propanamide (PubChem CID 116850913) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-amino-3-(1-benzofuran-3-yl)propanamide.

Molecular Properties

Compound Name2-amino-3-(1-benzofuran-3-yl)propanamide
PubChem CID116850913
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name2-amino-3-(1-benzofuran-3-yl)propanamide
SMILESNC(=O)C(N)Cc1coc2ccccc12
InChIInChI=1S/C11H12N2O2/c12-9(11(13)14)5-7-6-15-10-4-2-1-3-8(7)10/h1-4,6,9H,5,12H2,(H2,13,14)
InChIKeyMHDPODYAOPMPHZ-UHFFFAOYSA-N
XLogP0.79
TPSA82.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(1-benzofuran-3-yl)-N-methylpropanehydrazide
CID 116849154
1-(1-benzofuran-3-yl)butan-2-amine
CID 80702281
1-amino-3-(1-benzofuran-3-yl)propan-2-ol
CID 116859204
4-(1-benzofuran-3-yl)-3-methylbutanoic acid
CID 116926807
2-amino-6-(1-benzofuran-3-yl)hexanoic acid
CID 112518542
1-(1-benzofuran-3-yl)-3-methylbutan-2-one
CID 164836556
2-(aminomethyl)-3-(1-benzofuran-3-yl)propan-1-ol
CID 80702163
(2S)-3-(1-benzofuran-3-yl)-2-(methylamino)propanoic acid
CID 172529455
2-amino-N-(1-benzofuran-3-ylmethyl)-3-hydroxy-N-methylpropanamide
CID 115180017
[(1S)-2-(1-benzofuran-3-yl)-1-chloroethyl]boronic acid
CID 175781781
methyl 2-[[2-(1-benzofuran-3-yl)acetyl]amino]propanoate
CID 110485821
3-(1-benzofuran-3-ylmethylamino)butanamide
CID 115677058

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1-benzofuran-3-yl)propanamide?
The IUPAC name of 2-amino-3-(1-benzofuran-3-yl)propanamide (CID 116850913) is 2-amino-3-(1-benzofuran-3-yl)propanamide.
What is the SMILES notation for 2-amino-3-(1-benzofuran-3-yl)propanamide?
The canonical SMILES for 2-amino-3-(1-benzofuran-3-yl)propanamide is NC(=O)C(N)Cc1coc2ccccc12.
What is the InChIKey of 2-amino-3-(1-benzofuran-3-yl)propanamide?
The InChIKey is MHDPODYAOPMPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c12-9(11(13)14)5-7-6-15-10-4-2-1-3-8(7)10/h1-4,6,9H,5,12H2,(H2,13,14).
What are the key properties of 2-amino-3-(1-benzofuran-3-yl)propanamide?
2-amino-3-(1-benzofuran-3-yl)propanamide has a molecular weight of 204.23 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1-benzofuran-3-yl)propanamide is sourced from PubChem (CID 116850913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).