(2R)-2-(2-cyclopropyl-1,1-dioxo-1,2,5-thiadiazinan-5-yl)propanoic acid

C9H16N2O4S — CID 58738014

IUPAC(2R)-2-(2-cyclopropyl-1,1-dioxo-1,2,5-thiadiazinan-5-yl)propanoic acid
SMILESC[C@H](C(=O)O)N1CCN(C2CC2)S(=O)(=O)C1
InChIInChI=1S/C9H16N2O4S/c1-7(9(12)13)10-4-5-11(8-2-3-8)16(14,15)6-10/h7-8H,2-6H2,1H3,(H,12,13)/t7-/m1/s1
InChIKeyFCZJFSMQFJJBCO-SSDOTTSWSA-N
MW248.30 g/mol
LogP-0.47
Rot. Bonds3

About (2R)-2-(2-cyclopropyl-1,1-dioxo-1,2,5-thiadiazinan-5-yl)propanoic acid

(2R)-2-(2-cyclopropyl-1,1-dioxo-1,2,5-thiadiazinan-5-yl)propanoic acid (PubChem CID 58738014) has the molecular formula C9H16N2O4S and a molecular weight of 248.30 g/mol. Its IUPAC name is (2R)-2-(2-cyclopropyl-1,1-dioxo-1,2,5-thiadiazinan-5-yl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(2-cyclopropyl-1,1-dioxo-1,2,5-thiadiazinan-5-yl)propanoic acid
PubChem CID58738014
Molecular FormulaC9H16N2O4S
Molecular Weight248.30 g/mol
Exact Mass248.08
IUPAC Name(2R)-2-(2-cyclopropyl-1,1-dioxo-1,2,5-thiadiazinan-5-yl)propanoic acid
SMILESC[C@H](C(=O)O)N1CCN(C2CC2)S(=O)(=O)C1
InChIInChI=1S/C9H16N2O4S/c1-7(9(12)13)10-4-5-11(8-2-3-8)16(14,15)6-10/h7-8H,2-6H2,1H3,(H,12,13)/t7-/m1/s1
InChIKeyFCZJFSMQFJJBCO-SSDOTTSWSA-N
XLogP-0.47
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[2-(2-methylpropyl)-1,1-dioxo-1,2,5-thiadiazinan-5-yl]propanoic acid
CID 58738115
2-(4-propan-2-ylpiperazin-1-yl)propanoic acid
CID 43585425
2-[4-(1-cyclopropylethyl)piperazin-1-yl]propanoic acid
CID 65062404
2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanoic acid
CID 121201886
2-[4-[2-(1,1-dioxothiolan-3-yl)acetyl]piperazin-1-yl]propanoic acid
CID 62315845
2-(3-methoxypyrrolidin-1-yl)propanoic acid
CID 103535131
2-(2,6-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)propanoic acid
CID 127020810
2-pyrrolidin-1-ylpropanoic acid;hydrochloride
CID 45074903
(2R)-2-pyrrolidin-1-ylpropanoic acid;hydrochloride
CID 127263393
2-[4-(cyclopentanecarbonyl)piperazin-1-yl]propanoic acid
CID 62317248
2-(3-methyl-3,9-diazabicyclo[4.2.1]nonan-9-yl)propanoic acid
CID 130892908
2-[4-(2-cyclopropylpropanoyl)piperazin-1-yl]propanoic acid
CID 83147517

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-cyclopropyl-1,1-dioxo-1,2,5-thiadiazinan-5-yl)propanoic acid?
The IUPAC name of (2R)-2-(2-cyclopropyl-1,1-dioxo-1,2,5-thiadiazinan-5-yl)propanoic acid (CID 58738014) is (2R)-2-(2-cyclopropyl-1,1-dioxo-1,2,5-thiadiazinan-5-yl)propanoic acid.
What is the SMILES notation for (2R)-2-(2-cyclopropyl-1,1-dioxo-1,2,5-thiadiazinan-5-yl)propanoic acid?
The canonical SMILES for (2R)-2-(2-cyclopropyl-1,1-dioxo-1,2,5-thiadiazinan-5-yl)propanoic acid is C[C@H](C(=O)O)N1CCN(C2CC2)S(=O)(=O)C1.
What is the InChIKey of (2R)-2-(2-cyclopropyl-1,1-dioxo-1,2,5-thiadiazinan-5-yl)propanoic acid?
The InChIKey is FCZJFSMQFJJBCO-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H16N2O4S/c1-7(9(12)13)10-4-5-11(8-2-3-8)16(14,15)6-10/h7-8H,2-6H2,1H3,(H,12,13)/t7-/m1/s1.
What are the key properties of (2R)-2-(2-cyclopropyl-1,1-dioxo-1,2,5-thiadiazinan-5-yl)propanoic acid?
(2R)-2-(2-cyclopropyl-1,1-dioxo-1,2,5-thiadiazinan-5-yl)propanoic acid has a molecular weight of 248.30 g/mol, XLogP of -0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-cyclopropyl-1,1-dioxo-1,2,5-thiadiazinan-5-yl)propanoic acid is sourced from PubChem (CID 58738014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).