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

C9H15NO4 — CID 79750680

IUPAC2-[methyl-(2-methyloxolane-3-carbonyl)amino]acetic acid
SMILESCC1OCCC1C(=O)N(C)CC(=O)O
InChIInChI=1S/C9H15NO4/c1-6-7(3-4-14-6)9(13)10(2)5-8(11)12/h6-7H,3-5H2,1-2H3,(H,11,12)
InChIKeyLQADHAIJWMXOLM-UHFFFAOYSA-N
MW201.22 g/mol
LogP-0.05
Rot. Bonds3

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

2-[methyl-(2-methyloxolane-3-carbonyl)amino]acetic acid (PubChem CID 79750680) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-[methyl-(2-methyloxolane-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-(2-methyloxolane-3-carbonyl)amino]acetic acid
PubChem CID79750680
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name2-[methyl-(2-methyloxolane-3-carbonyl)amino]acetic acid
SMILESCC1OCCC1C(=O)N(C)CC(=O)O
InChIInChI=1S/C9H15NO4/c1-6-7(3-4-14-6)9(13)10(2)5-8(11)12/h6-7H,3-5H2,1-2H3,(H,11,12)
InChIKeyLQADHAIJWMXOLM-UHFFFAOYSA-N
XLogP-0.05
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[methyl-(2-methyloxolane-3-carbonyl)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-(2-methyloxolane-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[methyl-(2-methyloxolane-3-carbonyl)amino]acetic acid (CID 79750680) is 2-[methyl-(2-methyloxolane-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[methyl-(2-methyloxolane-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[methyl-(2-methyloxolane-3-carbonyl)amino]acetic acid is CC1OCCC1C(=O)N(C)CC(=O)O.
What is the InChIKey of 2-[methyl-(2-methyloxolane-3-carbonyl)amino]acetic acid?
The InChIKey is LQADHAIJWMXOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-6-7(3-4-14-6)9(13)10(2)5-8(11)12/h6-7H,3-5H2,1-2H3,(H,11,12).
What are the key properties of 2-[methyl-(2-methyloxolane-3-carbonyl)amino]acetic acid?
2-[methyl-(2-methyloxolane-3-carbonyl)amino]acetic acid has a molecular weight of 201.22 g/mol, XLogP of -0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(2-methyloxolane-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 79750680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).