2-[(5-ethylfuran-2-carbonyl)-(2-methylpropyl)amino]acetic acid

C13H19NO4 — CID 62032812

IUPAC2-[(5-ethylfuran-2-carbonyl)-(2-methylpropyl)amino]acetic acid
SMILESCCc1ccc(C(=O)N(CC(=O)O)CC(C)C)o1
InChIInChI=1S/C13H19NO4/c1-4-10-5-6-11(18-10)13(17)14(7-9(2)3)8-12(15)16/h5-6,9H,4,7-8H2,1-3H3,(H,15,16)
InChIKeyQWWIXNBWTBLYBD-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.02
Rot. Bonds6

About 2-[(5-ethylfuran-2-carbonyl)-(2-methylpropyl)amino]acetic acid

2-[(5-ethylfuran-2-carbonyl)-(2-methylpropyl)amino]acetic acid (PubChem CID 62032812) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[(5-ethylfuran-2-carbonyl)-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5-ethylfuran-2-carbonyl)-(2-methylpropyl)amino]acetic acid
PubChem CID62032812
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name2-[(5-ethylfuran-2-carbonyl)-(2-methylpropyl)amino]acetic acid
SMILESCCc1ccc(C(=O)N(CC(=O)O)CC(C)C)o1
InChIInChI=1S/C13H19NO4/c1-4-10-5-6-11(18-10)13(17)14(7-9(2)3)8-12(15)16/h5-6,9H,4,7-8H2,1-3H3,(H,15,16)
InChIKeyQWWIXNBWTBLYBD-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethylfuran-2-carbonyl)-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[(5-ethylfuran-2-carbonyl)-(2-methylpropyl)amino]acetic acid (CID 62032812) is 2-[(5-ethylfuran-2-carbonyl)-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[(5-ethylfuran-2-carbonyl)-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[(5-ethylfuran-2-carbonyl)-(2-methylpropyl)amino]acetic acid is CCc1ccc(C(=O)N(CC(=O)O)CC(C)C)o1.
What is the InChIKey of 2-[(5-ethylfuran-2-carbonyl)-(2-methylpropyl)amino]acetic acid?
The InChIKey is QWWIXNBWTBLYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-4-10-5-6-11(18-10)13(17)14(7-9(2)3)8-12(15)16/h5-6,9H,4,7-8H2,1-3H3,(H,15,16).
What are the key properties of 2-[(5-ethylfuran-2-carbonyl)-(2-methylpropyl)amino]acetic acid?
2-[(5-ethylfuran-2-carbonyl)-(2-methylpropyl)amino]acetic acid has a molecular weight of 253.30 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethylfuran-2-carbonyl)-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 62032812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).