2-[methyl-(4-oxooxolan-3-yl)amino]acetic acid

C7H11NO4 — CID 82411726

IUPAC2-[methyl-(4-oxooxolan-3-yl)amino]acetic acid
SMILESCN(CC(=O)O)C1COCC1=O
InChIInChI=1S/C7H11NO4/c1-8(2-7(10)11)5-3-12-4-6(5)9/h5H,2-4H2,1H3,(H,10,11)
InChIKeyAVNCAAVWXGKMND-UHFFFAOYSA-N
MW173.17 g/mol
LogP-1.03
Rot. Bonds3

About 2-[methyl-(4-oxooxolan-3-yl)amino]acetic acid

2-[methyl-(4-oxooxolan-3-yl)amino]acetic acid (PubChem CID 82411726) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is 2-[methyl-(4-oxooxolan-3-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-(4-oxooxolan-3-yl)amino]acetic acid
PubChem CID82411726
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Name2-[methyl-(4-oxooxolan-3-yl)amino]acetic acid
SMILESCN(CC(=O)O)C1COCC1=O
InChIInChI=1S/C7H11NO4/c1-8(2-7(10)11)5-3-12-4-6(5)9/h5H,2-4H2,1H3,(H,10,11)
InChIKeyAVNCAAVWXGKMND-UHFFFAOYSA-N
XLogP-1.03
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-1.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[methyl-(4-oxooxolan-3-yl)amino]acetic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(4-oxooxolan-3-yl)amino]acetic acid?
The IUPAC name of 2-[methyl-(4-oxooxolan-3-yl)amino]acetic acid (CID 82411726) is 2-[methyl-(4-oxooxolan-3-yl)amino]acetic acid.
What is the SMILES notation for 2-[methyl-(4-oxooxolan-3-yl)amino]acetic acid?
The canonical SMILES for 2-[methyl-(4-oxooxolan-3-yl)amino]acetic acid is CN(CC(=O)O)C1COCC1=O.
What is the InChIKey of 2-[methyl-(4-oxooxolan-3-yl)amino]acetic acid?
The InChIKey is AVNCAAVWXGKMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4/c1-8(2-7(10)11)5-3-12-4-6(5)9/h5H,2-4H2,1H3,(H,10,11).
What are the key properties of 2-[methyl-(4-oxooxolan-3-yl)amino]acetic acid?
2-[methyl-(4-oxooxolan-3-yl)amino]acetic acid has a molecular weight of 173.17 g/mol, XLogP of -1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(4-oxooxolan-3-yl)amino]acetic acid is sourced from PubChem (CID 82411726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).