2-[cyclobutylmethyl-(1,1-dioxothiolan-3-yl)amino]acetic acid

C11H19NO4S — CID 65459687

IUPAC2-[cyclobutylmethyl-(1,1-dioxothiolan-3-yl)amino]acetic acid
SMILESO=C(O)CN(CC1CCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H19NO4S/c13-11(14)7-12(6-9-2-1-3-9)10-4-5-17(15,16)8-10/h9-10H,1-8H2,(H,13,14)
InChIKeyCDONQDRSTYZSFR-UHFFFAOYSA-N
MW261.34 g/mol
LogP0.36
Rot. Bonds5

About 2-[cyclobutylmethyl-(1,1-dioxothiolan-3-yl)amino]acetic acid

2-[cyclobutylmethyl-(1,1-dioxothiolan-3-yl)amino]acetic acid (PubChem CID 65459687) has the molecular formula C11H19NO4S and a molecular weight of 261.34 g/mol. Its IUPAC name is 2-[cyclobutylmethyl-(1,1-dioxothiolan-3-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclobutylmethyl-(1,1-dioxothiolan-3-yl)amino]acetic acid
PubChem CID65459687
Molecular FormulaC11H19NO4S
Molecular Weight261.34 g/mol
Exact Mass261.10
IUPAC Name2-[cyclobutylmethyl-(1,1-dioxothiolan-3-yl)amino]acetic acid
SMILESO=C(O)CN(CC1CCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H19NO4S/c13-11(14)7-12(6-9-2-1-3-9)10-4-5-17(15,16)8-10/h9-10H,1-8H2,(H,13,14)
InChIKeyCDONQDRSTYZSFR-UHFFFAOYSA-N
XLogP0.36
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopentyl(cyclopentylmethyl)amino]acetic acid
CID 61342644
2-[(1,1-dioxothiolan-3-yl)-(oxan-2-ylmethyl)amino]acetic acid
CID 60839895
2-[but-2-ynyl-(1,1-dioxothiolan-3-yl)amino]acetic acid
CID 62312163
2-[(1,1-dioxothiolan-3-yl)-(3-fluoropropyl)amino]acetic acid
CID 81114361
2-[(1,1-dioxothiolan-3-yl)-[2-(ethylamino)-2-oxoethyl]amino]acetic acid
CID 60838538
2-[(1,1-dioxothiolan-3-yl)-(3-methylbut-3-enyl)amino]acetic acid
CID 114473118
2-[(1,1-dioxothiolan-3-yl)-heptylamino]acetic acid
CID 60840580
2-[(1,1-dioxothiolan-3-yl)-[2-(oxolan-2-yl)ethyl]amino]acetic acid
CID 65162087
2-[(1,1-dioxothiolan-3-yl)-(2-phenylethyl)amino]acetic acid
CID 60838540
2-[(1,1-dioxothiolan-3-yl)-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetic acid
CID 60840065
2-[(3,5-dichlorophenyl)methyl-(1,1-dioxothiolan-3-yl)amino]acetic acid
CID 65059584
2-[[1-(cyanomethyl)cyclopropyl]methyl-(1,1-dioxothiolan-3-yl)amino]acetic acid
CID 65498230

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutylmethyl-(1,1-dioxothiolan-3-yl)amino]acetic acid?
The IUPAC name of 2-[cyclobutylmethyl-(1,1-dioxothiolan-3-yl)amino]acetic acid (CID 65459687) is 2-[cyclobutylmethyl-(1,1-dioxothiolan-3-yl)amino]acetic acid.
What is the SMILES notation for 2-[cyclobutylmethyl-(1,1-dioxothiolan-3-yl)amino]acetic acid?
The canonical SMILES for 2-[cyclobutylmethyl-(1,1-dioxothiolan-3-yl)amino]acetic acid is O=C(O)CN(CC1CCC1)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-[cyclobutylmethyl-(1,1-dioxothiolan-3-yl)amino]acetic acid?
The InChIKey is CDONQDRSTYZSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4S/c13-11(14)7-12(6-9-2-1-3-9)10-4-5-17(15,16)8-10/h9-10H,1-8H2,(H,13,14).
What are the key properties of 2-[cyclobutylmethyl-(1,1-dioxothiolan-3-yl)amino]acetic acid?
2-[cyclobutylmethyl-(1,1-dioxothiolan-3-yl)amino]acetic acid has a molecular weight of 261.34 g/mol, XLogP of 0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutylmethyl-(1,1-dioxothiolan-3-yl)amino]acetic acid is sourced from PubChem (CID 65459687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).