2-[methyl-(5-methylfuran-3-carbonyl)amino]acetic acid

C9H11NO4 — CID 114818756

IUPAC2-[methyl-(5-methylfuran-3-carbonyl)amino]acetic acid
SMILESCc1cc(C(=O)N(C)CC(=O)O)co1
InChIInChI=1S/C9H11NO4/c1-6-3-7(5-14-6)9(13)10(2)4-8(11)12/h3,5H,4H2,1-2H3,(H,11,12)
InChIKeyQOIKKDCGYNHUCG-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.74
Rot. Bonds3

About 2-[methyl-(5-methylfuran-3-carbonyl)amino]acetic acid

2-[methyl-(5-methylfuran-3-carbonyl)amino]acetic acid (PubChem CID 114818756) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-[methyl-(5-methylfuran-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-(5-methylfuran-3-carbonyl)amino]acetic acid
PubChem CID114818756
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Name2-[methyl-(5-methylfuran-3-carbonyl)amino]acetic acid
SMILESCc1cc(C(=O)N(C)CC(=O)O)co1
InChIInChI=1S/C9H11NO4/c1-6-3-7(5-14-6)9(13)10(2)4-8(11)12/h3,5H,4H2,1-2H3,(H,11,12)
InChIKeyQOIKKDCGYNHUCG-UHFFFAOYSA-N
XLogP0.74
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(5-methylfuran-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[methyl-(5-methylfuran-3-carbonyl)amino]acetic acid (CID 114818756) is 2-[methyl-(5-methylfuran-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[methyl-(5-methylfuran-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[methyl-(5-methylfuran-3-carbonyl)amino]acetic acid is Cc1cc(C(=O)N(C)CC(=O)O)co1.
What is the InChIKey of 2-[methyl-(5-methylfuran-3-carbonyl)amino]acetic acid?
The InChIKey is QOIKKDCGYNHUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4/c1-6-3-7(5-14-6)9(13)10(2)4-8(11)12/h3,5H,4H2,1-2H3,(H,11,12).
What are the key properties of 2-[methyl-(5-methylfuran-3-carbonyl)amino]acetic acid?
2-[methyl-(5-methylfuran-3-carbonyl)amino]acetic acid has a molecular weight of 197.19 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(5-methylfuran-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 114818756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).