2-[(3-methoxycyclobutyl)-propan-2-ylamino]acetic acid

C10H19NO3 — CID 106824294

IUPAC2-[(3-methoxycyclobutyl)-propan-2-ylamino]acetic acid
SMILESCOC1CC(N(CC(=O)O)C(C)C)C1
InChIInChI=1S/C10H19NO3/c1-7(2)11(6-10(12)13)8-4-9(5-8)14-3/h7-9H,4-6H2,1-3H3,(H,12,13)
InChIKeyMQXBJYIUMIUSAO-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.96
Rot. Bonds5

About 2-[(3-methoxycyclobutyl)-propan-2-ylamino]acetic acid

2-[(3-methoxycyclobutyl)-propan-2-ylamino]acetic acid (PubChem CID 106824294) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-[(3-methoxycyclobutyl)-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-methoxycyclobutyl)-propan-2-ylamino]acetic acid
PubChem CID106824294
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-[(3-methoxycyclobutyl)-propan-2-ylamino]acetic acid
SMILESCOC1CC(N(CC(=O)O)C(C)C)C1
InChIInChI=1S/C10H19NO3/c1-7(2)11(6-10(12)13)8-4-9(5-8)14-3/h7-9H,4-6H2,1-3H3,(H,12,13)
InChIKeyMQXBJYIUMIUSAO-UHFFFAOYSA-N
XLogP0.96
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(3-methoxycyclobutyl)-propan-2-ylamino]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-[(3-methoxycyclobutyl)-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[(3-methoxycyclobutyl)-propan-2-ylamino]acetic acid (CID 106824294) is 2-[(3-methoxycyclobutyl)-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(3-methoxycyclobutyl)-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(3-methoxycyclobutyl)-propan-2-ylamino]acetic acid is COC1CC(N(CC(=O)O)C(C)C)C1.
What is the InChIKey of 2-[(3-methoxycyclobutyl)-propan-2-ylamino]acetic acid?
The InChIKey is MQXBJYIUMIUSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-7(2)11(6-10(12)13)8-4-9(5-8)14-3/h7-9H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 2-[(3-methoxycyclobutyl)-propan-2-ylamino]acetic acid?
2-[(3-methoxycyclobutyl)-propan-2-ylamino]acetic acid has a molecular weight of 201.27 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxycyclobutyl)-propan-2-ylamino]acetic acid is sourced from PubChem (CID 106824294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).