2-[(2,5-dimethylfuran-3-carbonyl)amino]acetic acid

C9H11NO4 — CID 1085174

IUPAC2-[(2,5-dimethylfuran-3-carbonyl)amino]acetic acid
SMILESCc1cc(C(=O)NCC(=O)O)c(C)o1
InChIInChI=1S/C9H11NO4/c1-5-3-7(6(2)14-5)9(13)10-4-8(11)12/h3H,4H2,1-2H3,(H,10,13)(H,11,12)
InChIKeyNBPIKJMMYBAHGS-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.71
Rot. Bonds3

About 2-[(2,5-dimethylfuran-3-carbonyl)amino]acetic acid

2-[(2,5-dimethylfuran-3-carbonyl)amino]acetic acid (PubChem CID 1085174) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-[(2,5-dimethylfuran-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2,5-dimethylfuran-3-carbonyl)amino]acetic acid
PubChem CID1085174
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Name2-[(2,5-dimethylfuran-3-carbonyl)amino]acetic acid
SMILESCc1cc(C(=O)NCC(=O)O)c(C)o1
InChIInChI=1S/C9H11NO4/c1-5-3-7(6(2)14-5)9(13)10-4-8(11)12/h3H,4H2,1-2H3,(H,10,13)(H,11,12)
InChIKeyNBPIKJMMYBAHGS-UHFFFAOYSA-N
XLogP0.71
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylfuran-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(2,5-dimethylfuran-3-carbonyl)amino]acetic acid (CID 1085174) is 2-[(2,5-dimethylfuran-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(2,5-dimethylfuran-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(2,5-dimethylfuran-3-carbonyl)amino]acetic acid is Cc1cc(C(=O)NCC(=O)O)c(C)o1.
What is the InChIKey of 2-[(2,5-dimethylfuran-3-carbonyl)amino]acetic acid?
The InChIKey is NBPIKJMMYBAHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4/c1-5-3-7(6(2)14-5)9(13)10-4-8(11)12/h3H,4H2,1-2H3,(H,10,13)(H,11,12).
What are the key properties of 2-[(2,5-dimethylfuran-3-carbonyl)amino]acetic acid?
2-[(2,5-dimethylfuran-3-carbonyl)amino]acetic acid has a molecular weight of 197.19 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylfuran-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 1085174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).