2-[[2-(furan-2-yl)acetyl]-methylamino]propanoic acid

C10H13NO4 — CID 110834471

IUPAC2-[[2-(furan-2-yl)acetyl]-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)Cc1ccco1
InChIInChI=1S/C10H13NO4/c1-7(10(13)14)11(2)9(12)6-8-4-3-5-15-8/h3-5,7H,6H2,1-2H3,(H,13,14)
InChIKeyADAOOPXFGYMVIB-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.75
Rot. Bonds4

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

2-[[2-(furan-2-yl)acetyl]-methylamino]propanoic acid (PubChem CID 110834471) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-[[2-(furan-2-yl)acetyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(furan-2-yl)acetyl]-methylamino]propanoic acid
PubChem CID110834471
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name2-[[2-(furan-2-yl)acetyl]-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)Cc1ccco1
InChIInChI=1S/C10H13NO4/c1-7(10(13)14)11(2)9(12)6-8-4-3-5-15-8/h3-5,7H,6H2,1-2H3,(H,13,14)
InChIKeyADAOOPXFGYMVIB-UHFFFAOYSA-N
XLogP0.75
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(furan-2-yl)propanoyl-methylamino]propanoic acid
CID 62626533
2-[[2-(furan-2-yl)acetyl]-methylamino]-4-methylpentanoic acid
CID 110834473
2-[4-(furan-2-yl)butan-2-ylcarbamoyl-methylamino]propanoic acid
CID 55096590
2-[methyl-[2-(2-methylphenyl)acetyl]amino]propanoic acid
CID 62627248
2-(furan-2-yl)-N,N-dipropylacetamide
CID 110690666
2-(2-methylpropyl)furan;propanoic acid
CID 158583493
2-[methyl-[2-(3-methylphenyl)acetyl]amino]propanoic acid
CID 62626750
1-(furan-2-yl)-5-methylhexan-2-one
CID 83172823
N-[(2S)-1-ethylsulfonylpropan-2-yl]-3-(furan-2-yl)-N-methylpropanamide
CID 95625353
N-(furan-2-ylmethyl)-N,3-dimethylbutanamide
CID 58845598
3-ethoxy-1-(furan-2-yl)butan-2-one
CID 83171550
2-(furan-2-ylmethylamino)-N-methyl-N-propan-2-ylacetamide
CID 28586514

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(furan-2-yl)acetyl]-methylamino]propanoic acid?
The IUPAC name of 2-[[2-(furan-2-yl)acetyl]-methylamino]propanoic acid (CID 110834471) is 2-[[2-(furan-2-yl)acetyl]-methylamino]propanoic acid.
What is the SMILES notation for 2-[[2-(furan-2-yl)acetyl]-methylamino]propanoic acid?
The canonical SMILES for 2-[[2-(furan-2-yl)acetyl]-methylamino]propanoic acid is CC(C(=O)O)N(C)C(=O)Cc1ccco1.
What is the InChIKey of 2-[[2-(furan-2-yl)acetyl]-methylamino]propanoic acid?
The InChIKey is ADAOOPXFGYMVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-7(10(13)14)11(2)9(12)6-8-4-3-5-15-8/h3-5,7H,6H2,1-2H3,(H,13,14).
What are the key properties of 2-[[2-(furan-2-yl)acetyl]-methylamino]propanoic acid?
2-[[2-(furan-2-yl)acetyl]-methylamino]propanoic acid has a molecular weight of 211.22 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(furan-2-yl)acetyl]-methylamino]propanoic acid is sourced from PubChem (CID 110834471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).