[(3R,4R)-4-(carbamoylamino)thiolan-3-yl] acetate

C7H12N2O3S — CID 7154914

IUPAC[(3R,4R)-4-(carbamoylamino)thiolan-3-yl] acetate
SMILESCC(=O)O[C@H]1CSC[C@@H]1NC(N)=O
InChIInChI=1S/C7H12N2O3S/c1-4(10)12-6-3-13-2-5(6)9-7(8)11/h5-6H,2-3H2,1H3,(H3,8,9,11)/t5-,6-/m0/s1
InChIKeyRWGYUCMQOROXJQ-WDSKDSINSA-N
MW204.25 g/mol
LogP-0.30
Rot. Bonds2

About [(3R,4R)-4-(carbamoylamino)thiolan-3-yl] acetate

[(3R,4R)-4-(carbamoylamino)thiolan-3-yl] acetate (PubChem CID 7154914) has the molecular formula C7H12N2O3S and a molecular weight of 204.25 g/mol. Its IUPAC name is [(3R,4R)-4-(carbamoylamino)thiolan-3-yl] acetate.

Molecular Properties

Compound Name[(3R,4R)-4-(carbamoylamino)thiolan-3-yl] acetate
PubChem CID7154914
Molecular FormulaC7H12N2O3S
Molecular Weight204.25 g/mol
Exact Mass204.06
IUPAC Name[(3R,4R)-4-(carbamoylamino)thiolan-3-yl] acetate
SMILESCC(=O)O[C@H]1CSC[C@@H]1NC(N)=O
InChIInChI=1S/C7H12N2O3S/c1-4(10)12-6-3-13-2-5(6)9-7(8)11/h5-6H,2-3H2,1H3,(H3,8,9,11)/t5-,6-/m0/s1
InChIKeyRWGYUCMQOROXJQ-WDSKDSINSA-N
XLogP-0.30
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-(carbamoylamino)thiolan-3-yl] acetate?
The IUPAC name of [(3R,4R)-4-(carbamoylamino)thiolan-3-yl] acetate (CID 7154914) is [(3R,4R)-4-(carbamoylamino)thiolan-3-yl] acetate.
What is the SMILES notation for [(3R,4R)-4-(carbamoylamino)thiolan-3-yl] acetate?
The canonical SMILES for [(3R,4R)-4-(carbamoylamino)thiolan-3-yl] acetate is CC(=O)O[C@H]1CSC[C@@H]1NC(N)=O.
What is the InChIKey of [(3R,4R)-4-(carbamoylamino)thiolan-3-yl] acetate?
The InChIKey is RWGYUCMQOROXJQ-WDSKDSINSA-N. The full InChI is InChI=1S/C7H12N2O3S/c1-4(10)12-6-3-13-2-5(6)9-7(8)11/h5-6H,2-3H2,1H3,(H3,8,9,11)/t5-,6-/m0/s1.
What are the key properties of [(3R,4R)-4-(carbamoylamino)thiolan-3-yl] acetate?
[(3R,4R)-4-(carbamoylamino)thiolan-3-yl] acetate has a molecular weight of 204.25 g/mol, XLogP of -0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-(carbamoylamino)thiolan-3-yl] acetate is sourced from PubChem (CID 7154914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).