2-(5-cyclopropyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-2-methylpropanoic acid

C9H16N2O4S — CID 58738228

IUPAC2-(5-cyclopropyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)N1CCN(C2CC2)S1(=O)=O
InChIInChI=1S/C9H16N2O4S/c1-9(2,8(12)13)11-6-5-10(7-3-4-7)16(11,14)15/h7H,3-6H2,1-2H3,(H,12,13)
InChIKeyWSRRREBDUBSKDQ-UHFFFAOYSA-N
MW248.30 g/mol
LogP-0.13
Rot. Bonds3

About 2-(5-cyclopropyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-2-methylpropanoic acid

2-(5-cyclopropyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-2-methylpropanoic acid (PubChem CID 58738228) has the molecular formula C9H16N2O4S and a molecular weight of 248.30 g/mol. Its IUPAC name is 2-(5-cyclopropyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(5-cyclopropyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-2-methylpropanoic acid
PubChem CID58738228
Molecular FormulaC9H16N2O4S
Molecular Weight248.30 g/mol
Exact Mass248.08
IUPAC Name2-(5-cyclopropyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)N1CCN(C2CC2)S1(=O)=O
InChIInChI=1S/C9H16N2O4S/c1-9(2,8(12)13)11-6-5-10(7-3-4-7)16(11,14)15/h7H,3-6H2,1-2H3,(H,12,13)
InChIKeyWSRRREBDUBSKDQ-UHFFFAOYSA-N
XLogP-0.13
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-cyclopropyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-2-methylpropanoic acid with MolForge

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Related Compounds

2-cyclopentyl-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide
CID 117026527
2-cyclopropyl-6-methyl-1,2,6-thiadiazinane 1,1-dioxide
CID 117026594
(2R)-2-(2-cyclopropyl-1,1-dioxo-1,2,5-thiadiazinan-5-yl)propanoic acid
CID 58738014
2-(3-cyclopropyl-2-oxoimidazolidin-1-yl)-2-methylpropanoic acid
CID 84782289
3-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-dimethyl-3-oxopropanoic acid
CID 82820987
3-(4-cyclopropylpiperazin-1-yl)-2,2-dimethylpropanoic acid
CID 62269991
2-methyl-2-pyrrolidin-1-ylpropanoic acid
CID 22311931
2-amino-2-(1-methylpiperidin-4-yl)propanoic acid
CID 82602342
2-(1,1-dioxothiolan-3-yl)sulfonyl-2-methylpropanoic acid
CID 81227757
2-(1,1-dioxothian-2-yl)-2-methylpropanoic acid
CID 84787514
2-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanoic acid
CID 115128042
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-methylpropanoic acid
CID 82235576

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclopropyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(5-cyclopropyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-2-methylpropanoic acid (CID 58738228) is 2-(5-cyclopropyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(5-cyclopropyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(5-cyclopropyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-2-methylpropanoic acid is CC(C)(C(=O)O)N1CCN(C2CC2)S1(=O)=O.
What is the InChIKey of 2-(5-cyclopropyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-2-methylpropanoic acid?
The InChIKey is WSRRREBDUBSKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4S/c1-9(2,8(12)13)11-6-5-10(7-3-4-7)16(11,14)15/h7H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 2-(5-cyclopropyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-2-methylpropanoic acid?
2-(5-cyclopropyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-2-methylpropanoic acid has a molecular weight of 248.30 g/mol, XLogP of -0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopropyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-2-methylpropanoic acid is sourced from PubChem (CID 58738228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).