ethyl 2-[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl]sulfanylacetate

C8H14N2O4S — CID 8594598

IUPACethyl 2-[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl]sulfanylacetate
SMILESCCOC(=O)CS[C@H](C)C(=O)NC(N)=O
InChIInChI=1S/C8H14N2O4S/c1-3-14-6(11)4-15-5(2)7(12)10-8(9)13/h5H,3-4H2,1-2H3,(H3,9,10,12,13)/t5-/m1/s1
InChIKeyAROLMHPUUCCKNM-RXMQYKEDSA-N
MW234.28 g/mol
LogP-0.13
Rot. Bonds5

About ethyl 2-[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl]sulfanylacetate

ethyl 2-[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl]sulfanylacetate (PubChem CID 8594598) has the molecular formula C8H14N2O4S and a molecular weight of 234.28 g/mol. Its IUPAC name is ethyl 2-[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl]sulfanylacetate.

Molecular Properties

Compound Nameethyl 2-[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl]sulfanylacetate
PubChem CID8594598
Molecular FormulaC8H14N2O4S
Molecular Weight234.28 g/mol
Exact Mass234.07
IUPAC Nameethyl 2-[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl]sulfanylacetate
SMILESCCOC(=O)CS[C@H](C)C(=O)NC(N)=O
InChIInChI=1S/C8H14N2O4S/c1-3-14-6(11)4-15-5(2)7(12)10-8(9)13/h5H,3-4H2,1-2H3,(H3,9,10,12,13)/t5-/m1/s1
InChIKeyAROLMHPUUCCKNM-RXMQYKEDSA-N
XLogP-0.13
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl]sulfanylacetate?
The IUPAC name of ethyl 2-[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl]sulfanylacetate (CID 8594598) is ethyl 2-[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl]sulfanylacetate.
What is the SMILES notation for ethyl 2-[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl]sulfanylacetate?
The canonical SMILES for ethyl 2-[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl]sulfanylacetate is CCOC(=O)CS[C@H](C)C(=O)NC(N)=O.
What is the InChIKey of ethyl 2-[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl]sulfanylacetate?
The InChIKey is AROLMHPUUCCKNM-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H14N2O4S/c1-3-14-6(11)4-15-5(2)7(12)10-8(9)13/h5H,3-4H2,1-2H3,(H3,9,10,12,13)/t5-/m1/s1.
What are the key properties of ethyl 2-[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl]sulfanylacetate?
ethyl 2-[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl]sulfanylacetate has a molecular weight of 234.28 g/mol, XLogP of -0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl]sulfanylacetate is sourced from PubChem (CID 8594598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).