(2S)-2-[2-(2-methylpropyl)-1,1-dioxo-1,2,5-thiadiazinan-5-yl]propanoic acid

C10H20N2O4S — CID 58738115

IUPAC(2S)-2-[2-(2-methylpropyl)-1,1-dioxo-1,2,5-thiadiazinan-5-yl]propanoic acid
SMILESCC(C)CN1CCN([C@@H](C)C(=O)O)CS1(=O)=O
InChIInChI=1S/C10H20N2O4S/c1-8(2)6-12-5-4-11(7-17(12,15)16)9(3)10(13)14/h8-9H,4-7H2,1-3H3,(H,13,14)/t9-/m0/s1
InChIKeyZFGYIYHHZHVMFJ-VIFPVBQESA-N
MW264.35 g/mol
LogP0.02
Rot. Bonds4

About (2S)-2-[2-(2-methylpropyl)-1,1-dioxo-1,2,5-thiadiazinan-5-yl]propanoic acid

(2S)-2-[2-(2-methylpropyl)-1,1-dioxo-1,2,5-thiadiazinan-5-yl]propanoic acid (PubChem CID 58738115) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is (2S)-2-[2-(2-methylpropyl)-1,1-dioxo-1,2,5-thiadiazinan-5-yl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[2-(2-methylpropyl)-1,1-dioxo-1,2,5-thiadiazinan-5-yl]propanoic acid
PubChem CID58738115
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name(2S)-2-[2-(2-methylpropyl)-1,1-dioxo-1,2,5-thiadiazinan-5-yl]propanoic acid
SMILESCC(C)CN1CCN([C@@H](C)C(=O)O)CS1(=O)=O
InChIInChI=1S/C10H20N2O4S/c1-8(2)6-12-5-4-11(7-17(12,15)16)9(3)10(13)14/h8-9H,4-7H2,1-3H3,(H,13,14)/t9-/m0/s1
InChIKeyZFGYIYHHZHVMFJ-VIFPVBQESA-N
XLogP0.02
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[2-(2-methylpropyl)-1,1-dioxo-1,2,5-thiadiazinan-5-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(2-cyclopropyl-1,1-dioxo-1,2,5-thiadiazinan-5-yl)propanoic acid
CID 58738014
2-(4-propan-2-ylpiperazin-1-yl)propanoic acid
CID 43585425
2-[4-(1-carboxyethyl)-7-(2-oxobutyl)-1,4,7-triazonan-1-yl]propanoic acid
CID 156732078
2-[4-(2-ethylbutyl)piperazin-1-yl]propanoic acid
CID 65062556
(2R)-2-pyrrolidin-1-ylpropanoic acid;hydrochloride
CID 127263393
2-pyrrolidin-1-ylpropanoic acid;hydrochloride
CID 45074903
2-(4-nonylpiperazin-1-yl)propanoic acid
CID 62310084
2-(4-octan-2-ylpiperazin-1-yl)propanoic acid
CID 65062156
2-[4-(2-methylpentyl)piperazin-1-yl]propanoic acid
CID 62312469
2-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]propanoic acid
CID 62312460
2-methyl-3-[4-(2-methylpropyl)piperazin-1-yl]butanoic acid
CID 79407898
2-[4-(2-fluoroethyl)piperazin-1-yl]propanoic acid
CID 80695764

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(2-methylpropyl)-1,1-dioxo-1,2,5-thiadiazinan-5-yl]propanoic acid?
The IUPAC name of (2S)-2-[2-(2-methylpropyl)-1,1-dioxo-1,2,5-thiadiazinan-5-yl]propanoic acid (CID 58738115) is (2S)-2-[2-(2-methylpropyl)-1,1-dioxo-1,2,5-thiadiazinan-5-yl]propanoic acid.
What is the SMILES notation for (2S)-2-[2-(2-methylpropyl)-1,1-dioxo-1,2,5-thiadiazinan-5-yl]propanoic acid?
The canonical SMILES for (2S)-2-[2-(2-methylpropyl)-1,1-dioxo-1,2,5-thiadiazinan-5-yl]propanoic acid is CC(C)CN1CCN([C@@H](C)C(=O)O)CS1(=O)=O.
What is the InChIKey of (2S)-2-[2-(2-methylpropyl)-1,1-dioxo-1,2,5-thiadiazinan-5-yl]propanoic acid?
The InChIKey is ZFGYIYHHZHVMFJ-VIFPVBQESA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-8(2)6-12-5-4-11(7-17(12,15)16)9(3)10(13)14/h8-9H,4-7H2,1-3H3,(H,13,14)/t9-/m0/s1.
What are the key properties of (2S)-2-[2-(2-methylpropyl)-1,1-dioxo-1,2,5-thiadiazinan-5-yl]propanoic acid?
(2S)-2-[2-(2-methylpropyl)-1,1-dioxo-1,2,5-thiadiazinan-5-yl]propanoic acid has a molecular weight of 264.35 g/mol, XLogP of 0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(2-methylpropyl)-1,1-dioxo-1,2,5-thiadiazinan-5-yl]propanoic acid is sourced from PubChem (CID 58738115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).