2-[2-(carbamoylamino)-2-oxoethyl]sulfanylpropanoic acid

C6H10N2O4S — CID 24696712

IUPAC2-[2-(carbamoylamino)-2-oxoethyl]sulfanylpropanoic acid
SMILESCC(SCC(=O)NC(N)=O)C(=O)O
InChIInChI=1S/C6H10N2O4S/c1-3(5(10)11)13-2-4(9)8-6(7)12/h3H,2H2,1H3,(H,10,11)(H3,7,8,9,12)
InChIKeyXJBCPJACZZWBTG-UHFFFAOYSA-N
MW206.22 g/mol
LogP-0.61
Rot. Bonds4

About 2-[2-(carbamoylamino)-2-oxoethyl]sulfanylpropanoic acid

2-[2-(carbamoylamino)-2-oxoethyl]sulfanylpropanoic acid (PubChem CID 24696712) has the molecular formula C6H10N2O4S and a molecular weight of 206.22 g/mol. Its IUPAC name is 2-[2-(carbamoylamino)-2-oxoethyl]sulfanylpropanoic acid.

Molecular Properties

Compound Name2-[2-(carbamoylamino)-2-oxoethyl]sulfanylpropanoic acid
PubChem CID24696712
Molecular FormulaC6H10N2O4S
Molecular Weight206.22 g/mol
Exact Mass206.04
IUPAC Name2-[2-(carbamoylamino)-2-oxoethyl]sulfanylpropanoic acid
SMILESCC(SCC(=O)NC(N)=O)C(=O)O
InChIInChI=1S/C6H10N2O4S/c1-3(5(10)11)13-2-4(9)8-6(7)12/h3H,2H2,1H3,(H,10,11)(H3,7,8,9,12)
InChIKeyXJBCPJACZZWBTG-UHFFFAOYSA-N
XLogP-0.61
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(carbamoylamino)-2-oxoethyl]sulfanylpropanoic acid?
The IUPAC name of 2-[2-(carbamoylamino)-2-oxoethyl]sulfanylpropanoic acid (CID 24696712) is 2-[2-(carbamoylamino)-2-oxoethyl]sulfanylpropanoic acid.
What is the SMILES notation for 2-[2-(carbamoylamino)-2-oxoethyl]sulfanylpropanoic acid?
The canonical SMILES for 2-[2-(carbamoylamino)-2-oxoethyl]sulfanylpropanoic acid is CC(SCC(=O)NC(N)=O)C(=O)O.
What is the InChIKey of 2-[2-(carbamoylamino)-2-oxoethyl]sulfanylpropanoic acid?
The InChIKey is XJBCPJACZZWBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O4S/c1-3(5(10)11)13-2-4(9)8-6(7)12/h3H,2H2,1H3,(H,10,11)(H3,7,8,9,12).
What are the key properties of 2-[2-(carbamoylamino)-2-oxoethyl]sulfanylpropanoic acid?
2-[2-(carbamoylamino)-2-oxoethyl]sulfanylpropanoic acid has a molecular weight of 206.22 g/mol, XLogP of -0.61, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(carbamoylamino)-2-oxoethyl]sulfanylpropanoic acid is sourced from PubChem (CID 24696712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).