2-[2-[(1-methylsulfanylcyclobutyl)methylcarbamoylamino]ethoxy]acetic acid

Name: 2-[2-[(1-methylsulfanylcyclobutyl)methylcarbamoylamino]ethoxy]acetic acid — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₁H₂₀N₂O₄S — CID 114117097

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2-[2-[(1-methylsulfanylcyclobutyl)methylcarbamoylamino]ethoxy]acetic acid

SMILESCSC1(CNC(=O)NCCOCC(=O)O)CCC1

InChIInChI=1S/C11H20N2O4S/c1-18-11(3-2-4-11)8-13-10(16)12-5-6-17-7-9(14)15/h2-8H2,1H3,(H,14,15)(H2,12,13,16)

InChIKeyLJIMMBOECDWDAC-UHFFFAOYSA-N

MW276.36 g/mol

LogP0.67

Rot. Bonds8

About 2-[2-[(1-methylsulfanylcyclobutyl)methylcarbamoylamino]ethoxy]acetic acid

2-[2-[(1-methylsulfanylcyclobutyl)methylcarbamoylamino]ethoxy]acetic acid (PubChem CID 114117097) has the molecular formula C₁₁H₂₀N₂O₄S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-[2-[(1-methylsulfanylcyclobutyl)methylcarbamoylamino]ethoxy]acetic acid.

Molecular Properties

Compound Name	2-[2-[(1-methylsulfanylcyclobutyl)methylcarbamoylamino]ethoxy]acetic acid
PubChem CID	114117097
Molecular Formula	C₁₁H₂₀N₂O₄S
Molecular Weight	276.36 g/mol
Exact Mass	276.11
IUPAC Name	2-[2-[(1-methylsulfanylcyclobutyl)methylcarbamoylamino]ethoxy]acetic acid
SMILES	CSC1(CNC(=O)NCCOCC(=O)O)CCC1
InChI	InChI=1S/C11H20N2O4S/c1-18-11(3-2-4-11)8-13-10(16)12-5-6-17-7-9(14)15/h2-8H2,1H3,(H,14,15)(H2,12,13,16)
InChIKey	LJIMMBOECDWDAC-UHFFFAOYSA-N
XLogP	0.67
TPSA	87.66 Å²
H-Bond Donors	3
H-Bond Acceptors	4
Rotatable Bonds	8
Heavy Atoms	18
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	276.36
LogP ≤ 5	0.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-methylsulfanylcyclobutyl)methylcarbamoylamino]ethoxy]acetic acid?

The IUPAC name of 2-[2-[(1-methylsulfanylcyclobutyl)methylcarbamoylamino]ethoxy]acetic acid (CID 114117097) is 2-[2-[(1-methylsulfanylcyclobutyl)methylcarbamoylamino]ethoxy]acetic acid.

What is the SMILES notation for 2-[2-[(1-methylsulfanylcyclobutyl)methylcarbamoylamino]ethoxy]acetic acid?

The canonical SMILES for 2-[2-[(1-methylsulfanylcyclobutyl)methylcarbamoylamino]ethoxy]acetic acid is CSC1(CNC(=O)NCCOCC(=O)O)CCC1.

What is the InChIKey of 2-[2-[(1-methylsulfanylcyclobutyl)methylcarbamoylamino]ethoxy]acetic acid?

The InChIKey is LJIMMBOECDWDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4S/c1-18-11(3-2-4-11)8-13-10(16)12-5-6-17-7-9(14)15/h2-8H2,1H3,(H,14,15)(H2,12,13,16).

What are the key properties of 2-[2-[(1-methylsulfanylcyclobutyl)methylcarbamoylamino]ethoxy]acetic acid?

2-[2-[(1-methylsulfanylcyclobutyl)methylcarbamoylamino]ethoxy]acetic acid has a molecular weight of 276.36 g/mol, XLogP of 0.67, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[(1-methylsulfanylcyclobutyl)methylcarbamoylamino]ethoxy]acetic acid is sourced from PubChem (CID 114117097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 114117097 — identifiers, structure, computed properties (public domain)

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