2-[1-[[2-(methylcarbamoylamino)-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid

C10H16N2O4S — CID 65441897

IUPAC2-[1-[[2-(methylcarbamoylamino)-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid
SMILESCNC(=O)NC(=O)CSCC1(CC(=O)O)CC1
InChIInChI=1S/C10H16N2O4S/c1-11-9(16)12-7(13)5-17-6-10(2-3-10)4-8(14)15/h2-6H2,1H3,(H,14,15)(H2,11,12,13,16)
InChIKeyNABNBXMSAUXMCN-UHFFFAOYSA-N
MW260.31 g/mol
LogP0.43
Rot. Bonds6

About 2-[1-[[2-(methylcarbamoylamino)-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid

2-[1-[[2-(methylcarbamoylamino)-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid (PubChem CID 65441897) has the molecular formula C10H16N2O4S and a molecular weight of 260.31 g/mol. Its IUPAC name is 2-[1-[[2-(methylcarbamoylamino)-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[2-(methylcarbamoylamino)-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid
PubChem CID65441897
Molecular FormulaC10H16N2O4S
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC Name2-[1-[[2-(methylcarbamoylamino)-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid
SMILESCNC(=O)NC(=O)CSCC1(CC(=O)O)CC1
InChIInChI=1S/C10H16N2O4S/c1-11-9(16)12-7(13)5-17-6-10(2-3-10)4-8(14)15/h2-6H2,1H3,(H,14,15)(H2,11,12,13,16)
InChIKeyNABNBXMSAUXMCN-UHFFFAOYSA-N
XLogP0.43
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(methylcarbamoylamino)-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[[2-(methylcarbamoylamino)-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid (CID 65441897) is 2-[1-[[2-(methylcarbamoylamino)-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[[2-(methylcarbamoylamino)-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[[2-(methylcarbamoylamino)-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid is CNC(=O)NC(=O)CSCC1(CC(=O)O)CC1.
What is the InChIKey of 2-[1-[[2-(methylcarbamoylamino)-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid?
The InChIKey is NABNBXMSAUXMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S/c1-11-9(16)12-7(13)5-17-6-10(2-3-10)4-8(14)15/h2-6H2,1H3,(H,14,15)(H2,11,12,13,16).
What are the key properties of 2-[1-[[2-(methylcarbamoylamino)-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid?
2-[1-[[2-(methylcarbamoylamino)-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid has a molecular weight of 260.31 g/mol, XLogP of 0.43, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(methylcarbamoylamino)-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid is sourced from PubChem (CID 65441897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).