(2S)-2-[(2,5-dimethylfuran-3-yl)methylamino]propanamide

C10H16N2O2 — CID 103992303

IUPAC(2S)-2-[(2,5-dimethylfuran-3-yl)methylamino]propanamide
SMILESCc1cc(CN[C@@H](C)C(N)=O)c(C)o1
InChIInChI=1S/C10H16N2O2/c1-6-4-9(8(3)14-6)5-12-7(2)10(11)13/h4,7,12H,5H2,1-3H3,(H2,11,13)/t7-/m0/s1
InChIKeyZYORQFVWAPOCSF-ZETCQYMHSA-N
MW196.25 g/mol
LogP0.86
Rot. Bonds4

About (2S)-2-[(2,5-dimethylfuran-3-yl)methylamino]propanamide

(2S)-2-[(2,5-dimethylfuran-3-yl)methylamino]propanamide (PubChem CID 103992303) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is (2S)-2-[(2,5-dimethylfuran-3-yl)methylamino]propanamide.

Molecular Properties

Compound Name(2S)-2-[(2,5-dimethylfuran-3-yl)methylamino]propanamide
PubChem CID103992303
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name(2S)-2-[(2,5-dimethylfuran-3-yl)methylamino]propanamide
SMILESCc1cc(CN[C@@H](C)C(N)=O)c(C)o1
InChIInChI=1S/C10H16N2O2/c1-6-4-9(8(3)14-6)5-12-7(2)10(11)13/h4,7,12H,5H2,1-3H3,(H2,11,13)/t7-/m0/s1
InChIKeyZYORQFVWAPOCSF-ZETCQYMHSA-N
XLogP0.86
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S,3R)-2-[(2,5-dimethylfuran-3-yl)methylamino]-3-hydroxybutanoate
CID 99779095
(2R)-2-N-[(2,5-dimethylfuran-3-yl)methyl]propane-1,2-diamine
CID 104868153
(2S)-2-[(2,5-dimethylfuran-3-yl)methylamino]propan-1-ol
CID 103880707
N-[(2,5-dimethylfuran-3-yl)methyl]-3-methylbutan-2-amine
CID 115875924
2-[(2,5-dimethylfuran-3-yl)methylamino]propane-1,3-diol
CID 115876595
2-[(2,5-dimethylfuran-3-yl)methylamino]-3-methylpentan-1-ol
CID 115876546
1-cyclopropyl-N-[(2,5-dimethylfuran-3-yl)methyl]ethanamine
CID 115677056
(2S)-2-[(4-bromo-2-methylphenyl)methylamino]propanamide
CID 103992341
4-[[(1-amino-1-oxopropan-2-yl)amino]methyl]-5-methylthiophene-2-carboxylic acid
CID 103238902
1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
CID 43163687
2-[(4-bromo-3-methylphenyl)methylamino]propanamide
CID 66474598
N-[(2,5-dimethylfuran-3-yl)methyl]-4-methoxybutan-2-amine
CID 115688380

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2,5-dimethylfuran-3-yl)methylamino]propanamide?
The IUPAC name of (2S)-2-[(2,5-dimethylfuran-3-yl)methylamino]propanamide (CID 103992303) is (2S)-2-[(2,5-dimethylfuran-3-yl)methylamino]propanamide.
What is the SMILES notation for (2S)-2-[(2,5-dimethylfuran-3-yl)methylamino]propanamide?
The canonical SMILES for (2S)-2-[(2,5-dimethylfuran-3-yl)methylamino]propanamide is Cc1cc(CN[C@@H](C)C(N)=O)c(C)o1.
What is the InChIKey of (2S)-2-[(2,5-dimethylfuran-3-yl)methylamino]propanamide?
The InChIKey is ZYORQFVWAPOCSF-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-6-4-9(8(3)14-6)5-12-7(2)10(11)13/h4,7,12H,5H2,1-3H3,(H2,11,13)/t7-/m0/s1.
What are the key properties of (2S)-2-[(2,5-dimethylfuran-3-yl)methylamino]propanamide?
(2S)-2-[(2,5-dimethylfuran-3-yl)methylamino]propanamide has a molecular weight of 196.25 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2,5-dimethylfuran-3-yl)methylamino]propanamide is sourced from PubChem (CID 103992303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).