2-[(1,1-dioxothiolan-3-yl)methylamino]cyclobutane-1-carboxylic acid

C10H17NO4S — CID 103242606

IUPAC2-[(1,1-dioxothiolan-3-yl)methylamino]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1NCC1CCS(=O)(=O)C1
InChIInChI=1S/C10H17NO4S/c12-10(13)8-1-2-9(8)11-5-7-3-4-16(14,15)6-7/h7-9,11H,1-6H2,(H,12,13)
InChIKeyMXCLYZZVWIHWQO-UHFFFAOYSA-N
MW247.32 g/mol
LogP-0.13
Rot. Bonds4

About 2-[(1,1-dioxothiolan-3-yl)methylamino]cyclobutane-1-carboxylic acid

2-[(1,1-dioxothiolan-3-yl)methylamino]cyclobutane-1-carboxylic acid (PubChem CID 103242606) has the molecular formula C10H17NO4S and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-[(1,1-dioxothiolan-3-yl)methylamino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(1,1-dioxothiolan-3-yl)methylamino]cyclobutane-1-carboxylic acid
PubChem CID103242606
Molecular FormulaC10H17NO4S
Molecular Weight247.32 g/mol
Exact Mass247.09
IUPAC Name2-[(1,1-dioxothiolan-3-yl)methylamino]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1NCC1CCS(=O)(=O)C1
InChIInChI=1S/C10H17NO4S/c12-10(13)8-1-2-9(8)11-5-7-3-4-16(14,15)6-7/h7-9,11H,1-6H2,(H,12,13)
InChIKeyMXCLYZZVWIHWQO-UHFFFAOYSA-N
XLogP-0.13
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1,1-Dioxothiolan-3-yl)sulfamoyl]piperidine-3-carboxylic acid
CID 60858082
3-[(1,1-Dioxothiolan-3-yl)methylamino]butanoic acid
CID 61057547
1-[(1,1-Dioxothiolan-3-yl)methylsulfamoyl]piperidine-3-carboxylic acid
CID 61058863
5-[[2-(1,1-Dioxothiolan-3-yl)acetyl]amino]pentanoic acid
CID 62032872
5-[(1,1-Dioxothiolane-3-carbonyl)amino]pentanoic acid
CID 62033241
5-[(1,1-Dioxothiolan-3-yl)amino]-3-methyl-5-oxopentanoic acid
CID 62965377
4-[(1,1-Dioxothiolan-3-yl)methylamino]pentanoic acid
CID 64495053
3-[(1,1-Dioxothiolan-3-yl)amino]-2-methylbutanoic acid
CID 79391075
3-[(1,1-Dioxothiolan-3-yl)methylamino]-2-methylbutanoic acid
CID 79391529
2-[(1,1-Dioxothiolan-3-yl)-methylamino]cyclobutane-1-carboxylic acid
CID 80996486
2-[Methyl(2-methylsulfonylethyl)amino]cyclobutane-1-carboxylic acid
CID 80996605
3-[(1,1-Dioxothiolan-2-yl)methylamino]butanoic acid
CID 81038562

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxothiolan-3-yl)methylamino]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[(1,1-dioxothiolan-3-yl)methylamino]cyclobutane-1-carboxylic acid (CID 103242606) is 2-[(1,1-dioxothiolan-3-yl)methylamino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[(1,1-dioxothiolan-3-yl)methylamino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[(1,1-dioxothiolan-3-yl)methylamino]cyclobutane-1-carboxylic acid is O=C(O)C1CCC1NCC1CCS(=O)(=O)C1.
What is the InChIKey of 2-[(1,1-dioxothiolan-3-yl)methylamino]cyclobutane-1-carboxylic acid?
The InChIKey is MXCLYZZVWIHWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4S/c12-10(13)8-1-2-9(8)11-5-7-3-4-16(14,15)6-7/h7-9,11H,1-6H2,(H,12,13).
What are the key properties of 2-[(1,1-dioxothiolan-3-yl)methylamino]cyclobutane-1-carboxylic acid?
2-[(1,1-dioxothiolan-3-yl)methylamino]cyclobutane-1-carboxylic acid has a molecular weight of 247.32 g/mol, XLogP of -0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxothiolan-3-yl)methylamino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 103242606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).