2-[[2-(furan-2-yl)acetyl]-methylamino]-4-methylpentanoic acid

C13H19NO4 — CID 110834473

IUPAC2-[[2-(furan-2-yl)acetyl]-methylamino]-4-methylpentanoic acid
SMILESCC(C)CC(C(=O)O)N(C)C(=O)Cc1ccco1
InChIInChI=1S/C13H19NO4/c1-9(2)7-11(13(16)17)14(3)12(15)8-10-5-4-6-18-10/h4-6,9,11H,7-8H2,1-3H3,(H,16,17)
InChIKeyXEDXNKRKAOHNAS-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.78
Rot. Bonds6

About 2-[[2-(furan-2-yl)acetyl]-methylamino]-4-methylpentanoic acid

2-[[2-(furan-2-yl)acetyl]-methylamino]-4-methylpentanoic acid (PubChem CID 110834473) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[[2-(furan-2-yl)acetyl]-methylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[[2-(furan-2-yl)acetyl]-methylamino]-4-methylpentanoic acid
PubChem CID110834473
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name2-[[2-(furan-2-yl)acetyl]-methylamino]-4-methylpentanoic acid
SMILESCC(C)CC(C(=O)O)N(C)C(=O)Cc1ccco1
InChIInChI=1S/C13H19NO4/c1-9(2)7-11(13(16)17)14(3)12(15)8-10-5-4-6-18-10/h4-6,9,11H,7-8H2,1-3H3,(H,16,17)
InChIKeyXEDXNKRKAOHNAS-UHFFFAOYSA-N
XLogP1.78
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(furan-2-yl)acetyl]-methylamino]-4-methylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-(furan-2-yl)acetyl]-methylamino]propanoic acid
CID 110834471
2-[3-(furan-2-yl)propanoyl-methylamino]propanoic acid
CID 62626533
2-[furan-2-ylmethyl(methyl)amino]butanoic acid
CID 43809005
1-(furan-2-yl)-5-methylhexan-2-one
CID 83172823
N-(furan-2-ylmethyl)-N,3-dimethylbutanamide
CID 58845598
4-methyl-2-[methyl-(5-methylfuran-2-carbonyl)amino]pentanoic acid
CID 110836764
2-(furan-2-yl)-N,N-dipropylacetamide
CID 110690666
2-(2-methylpropyl)furan;propanoic acid
CID 158583493
3-ethyl-1-(furan-2-yl)pentan-2-one
CID 115795583
2-methylpropyl 2-(furan-2-yl)acetate
CID 156705031
2-[4-(furan-2-yl)butan-2-ylcarbamoyl-methylamino]propanoic acid
CID 55096590
3-ethoxy-1-(furan-2-yl)butan-2-one
CID 83171550

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(furan-2-yl)acetyl]-methylamino]-4-methylpentanoic acid?
The IUPAC name of 2-[[2-(furan-2-yl)acetyl]-methylamino]-4-methylpentanoic acid (CID 110834473) is 2-[[2-(furan-2-yl)acetyl]-methylamino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[[2-(furan-2-yl)acetyl]-methylamino]-4-methylpentanoic acid?
The canonical SMILES for 2-[[2-(furan-2-yl)acetyl]-methylamino]-4-methylpentanoic acid is CC(C)CC(C(=O)O)N(C)C(=O)Cc1ccco1.
What is the InChIKey of 2-[[2-(furan-2-yl)acetyl]-methylamino]-4-methylpentanoic acid?
The InChIKey is XEDXNKRKAOHNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-9(2)7-11(13(16)17)14(3)12(15)8-10-5-4-6-18-10/h4-6,9,11H,7-8H2,1-3H3,(H,16,17).
What are the key properties of 2-[[2-(furan-2-yl)acetyl]-methylamino]-4-methylpentanoic acid?
2-[[2-(furan-2-yl)acetyl]-methylamino]-4-methylpentanoic acid has a molecular weight of 253.30 g/mol, XLogP of 1.78, 6 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]-4-methylpentanoic acid is sourced from PubChem (CID 110834473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).