2-[3-(furan-2-yl)propanoyl-methylamino]propanoic acid

C11H15NO4 — CID 62626533

IUPAC2-[3-(furan-2-yl)propanoyl-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)CCc1ccco1
InChIInChI=1S/C11H15NO4/c1-8(11(14)15)12(2)10(13)6-5-9-4-3-7-16-9/h3-4,7-8H,5-6H2,1-2H3,(H,14,15)
InChIKeyVEINRIWWSZBBLW-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.14
Rot. Bonds5

About 2-[3-(furan-2-yl)propanoyl-methylamino]propanoic acid

2-[3-(furan-2-yl)propanoyl-methylamino]propanoic acid (PubChem CID 62626533) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 2-[3-(furan-2-yl)propanoyl-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[3-(furan-2-yl)propanoyl-methylamino]propanoic acid
PubChem CID62626533
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name2-[3-(furan-2-yl)propanoyl-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)CCc1ccco1
InChIInChI=1S/C11H15NO4/c1-8(11(14)15)12(2)10(13)6-5-9-4-3-7-16-9/h3-4,7-8H,5-6H2,1-2H3,(H,14,15)
InChIKeyVEINRIWWSZBBLW-UHFFFAOYSA-N
XLogP1.14
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(furan-2-yl)acetyl]-methylamino]propanoic acid
CID 110834471
N-[(2S)-1-ethylsulfonylpropan-2-yl]-3-(furan-2-yl)-N-methylpropanamide
CID 95625353
2-[4-(furan-2-yl)butan-2-ylcarbamoyl-methylamino]propanoic acid
CID 55096590
N-(4-amino-4-sulfanylidenebutan-2-yl)-3-(furan-2-yl)-N-methylpropanamide
CID 63223498
2-[methyl(3-phenylpropanoyl)amino]propanoic acid
CID 62626349
2-[3-(furan-2-yl)propanoyl-methylamino]acetic acid
CID 28778124
N-(2-aminopropyl)-3-(furan-2-yl)-N-methylpropanamide
CID 63754121
2-[3-(furan-2-yl)propanoyl-methylamino]-2-methylpropanoic acid
CID 55123873
N-(2-cyanopropyl)-3-(furan-2-yl)-N-methylpropanamide
CID 55207585
5-(furan-2-yl)-2-methylpentanoic acid
CID 82075109
N-(2-bromoethyl)-3-(furan-2-yl)-N-methylpropanamide
CID 80659443
2-[3-(furan-2-yl)propanoylamino]-N,N-dimethylpropanamide
CID 47035846

Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-yl)propanoyl-methylamino]propanoic acid?
The IUPAC name of 2-[3-(furan-2-yl)propanoyl-methylamino]propanoic acid (CID 62626533) is 2-[3-(furan-2-yl)propanoyl-methylamino]propanoic acid.
What is the SMILES notation for 2-[3-(furan-2-yl)propanoyl-methylamino]propanoic acid?
The canonical SMILES for 2-[3-(furan-2-yl)propanoyl-methylamino]propanoic acid is CC(C(=O)O)N(C)C(=O)CCc1ccco1.
What is the InChIKey of 2-[3-(furan-2-yl)propanoyl-methylamino]propanoic acid?
The InChIKey is VEINRIWWSZBBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-8(11(14)15)12(2)10(13)6-5-9-4-3-7-16-9/h3-4,7-8H,5-6H2,1-2H3,(H,14,15).
What are the key properties of 2-[3-(furan-2-yl)propanoyl-methylamino]propanoic acid?
2-[3-(furan-2-yl)propanoyl-methylamino]propanoic acid has a molecular weight of 225.24 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(furan-2-yl)propanoyl-methylamino]propanoic acid is sourced from PubChem (CID 62626533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).