2-(methylamino)-2-[3-(1H-pyrrol-2-yl)oxetan-3-yl]acetic acid

C10H14N2O3 — CID 116875677

IUPAC2-(methylamino)-2-[3-(1H-pyrrol-2-yl)oxetan-3-yl]acetic acid
SMILESCNC(C(=O)O)C1(c2ccc[nH]2)COC1
InChIInChI=1S/C10H14N2O3/c1-11-8(9(13)14)10(5-15-6-10)7-3-2-4-12-7/h2-4,8,11-12H,5-6H2,1H3,(H,13,14)
InChIKeyDUXDXZRTFRTVBI-UHFFFAOYSA-N
MW210.23 g/mol
LogP-0.04
Rot. Bonds4

About 2-(methylamino)-2-[3-(1H-pyrrol-2-yl)oxetan-3-yl]acetic acid

2-(methylamino)-2-[3-(1H-pyrrol-2-yl)oxetan-3-yl]acetic acid (PubChem CID 116875677) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-(methylamino)-2-[3-(1H-pyrrol-2-yl)oxetan-3-yl]acetic acid.

Molecular Properties

Compound Name2-(methylamino)-2-[3-(1H-pyrrol-2-yl)oxetan-3-yl]acetic acid
PubChem CID116875677
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-(methylamino)-2-[3-(1H-pyrrol-2-yl)oxetan-3-yl]acetic acid
SMILESCNC(C(=O)O)C1(c2ccc[nH]2)COC1
InChIInChI=1S/C10H14N2O3/c1-11-8(9(13)14)10(5-15-6-10)7-3-2-4-12-7/h2-4,8,11-12H,5-6H2,1H3,(H,13,14)
InChIKeyDUXDXZRTFRTVBI-UHFFFAOYSA-N
XLogP-0.04
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(methylamino)-2-[3-(1H-pyrrol-2-yl)oxetan-3-yl]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-(methylamino)-2-[3-(1H-pyrrol-2-yl)oxetan-3-yl]acetic acid?
The IUPAC name of 2-(methylamino)-2-[3-(1H-pyrrol-2-yl)oxetan-3-yl]acetic acid (CID 116875677) is 2-(methylamino)-2-[3-(1H-pyrrol-2-yl)oxetan-3-yl]acetic acid.
What is the SMILES notation for 2-(methylamino)-2-[3-(1H-pyrrol-2-yl)oxetan-3-yl]acetic acid?
The canonical SMILES for 2-(methylamino)-2-[3-(1H-pyrrol-2-yl)oxetan-3-yl]acetic acid is CNC(C(=O)O)C1(c2ccc[nH]2)COC1.
What is the InChIKey of 2-(methylamino)-2-[3-(1H-pyrrol-2-yl)oxetan-3-yl]acetic acid?
The InChIKey is DUXDXZRTFRTVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-11-8(9(13)14)10(5-15-6-10)7-3-2-4-12-7/h2-4,8,11-12H,5-6H2,1H3,(H,13,14).
What are the key properties of 2-(methylamino)-2-[3-(1H-pyrrol-2-yl)oxetan-3-yl]acetic acid?
2-(methylamino)-2-[3-(1H-pyrrol-2-yl)oxetan-3-yl]acetic acid has a molecular weight of 210.23 g/mol, XLogP of -0.04, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-2-[3-(1H-pyrrol-2-yl)oxetan-3-yl]acetic acid is sourced from PubChem (CID 116875677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).