2-cyclopropyl-2-[(2-methoxy-2-oxoethyl)amino]propanoic acid

C9H15NO4 — CID 114987732

IUPAC2-cyclopropyl-2-[(2-methoxy-2-oxoethyl)amino]propanoic acid
SMILESCOC(=O)CNC(C)(C(=O)O)C1CC1
InChIInChI=1S/C9H15NO4/c1-9(8(12)13,6-3-4-6)10-5-7(11)14-2/h6,10H,3-5H2,1-2H3,(H,12,13)
InChIKeyZIGCLWVWZQLIOR-UHFFFAOYSA-N
MW201.22 g/mol
LogP0.00
Rot. Bonds5

About 2-cyclopropyl-2-[(2-methoxy-2-oxoethyl)amino]propanoic acid

2-cyclopropyl-2-[(2-methoxy-2-oxoethyl)amino]propanoic acid (PubChem CID 114987732) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(2-methoxy-2-oxoethyl)amino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(2-methoxy-2-oxoethyl)amino]propanoic acid
PubChem CID114987732
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name2-cyclopropyl-2-[(2-methoxy-2-oxoethyl)amino]propanoic acid
SMILESCOC(=O)CNC(C)(C(=O)O)C1CC1
InChIInChI=1S/C9H15NO4/c1-9(8(12)13,6-3-4-6)10-5-7(11)14-2/h6,10H,3-5H2,1-2H3,(H,12,13)
InChIKeyZIGCLWVWZQLIOR-UHFFFAOYSA-N
XLogP0.00
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-2-[(2-methoxy-2-oxoethyl)amino]propanoic 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-cyclopropyl-2-[(2-methoxy-2-oxoethyl)amino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[(2-methoxy-2-oxoethyl)amino]propanoic acid (CID 114987732) is 2-cyclopropyl-2-[(2-methoxy-2-oxoethyl)amino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(2-methoxy-2-oxoethyl)amino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[(2-methoxy-2-oxoethyl)amino]propanoic acid is COC(=O)CNC(C)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[(2-methoxy-2-oxoethyl)amino]propanoic acid?
The InChIKey is ZIGCLWVWZQLIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-9(8(12)13,6-3-4-6)10-5-7(11)14-2/h6,10H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 2-cyclopropyl-2-[(2-methoxy-2-oxoethyl)amino]propanoic acid?
2-cyclopropyl-2-[(2-methoxy-2-oxoethyl)amino]propanoic acid has a molecular weight of 201.22 g/mol, XLogP of 0.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(2-methoxy-2-oxoethyl)amino]propanoic acid is sourced from PubChem (CID 114987732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).