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

C11H18N2O4S — CID 65442506

IUPAC2-[1-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]sulfanylmethyl]cyclopropyl]acetic acid
SMILESCNC(=O)NC(=O)C(C)SCC1(CC(=O)O)CC1
InChIInChI=1S/C11H18N2O4S/c1-7(9(16)13-10(17)12-2)18-6-11(3-4-11)5-8(14)15/h7H,3-6H2,1-2H3,(H,14,15)(H2,12,13,16,17)
InChIKeyDJFOISJAXPQZSF-UHFFFAOYSA-N
MW274.34 g/mol
LogP0.82
Rot. Bonds6

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

2-[1-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]sulfanylmethyl]cyclopropyl]acetic acid (PubChem CID 65442506) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is 2-[1-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]sulfanylmethyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]sulfanylmethyl]cyclopropyl]acetic acid
PubChem CID65442506
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Name2-[1-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]sulfanylmethyl]cyclopropyl]acetic acid
SMILESCNC(=O)NC(=O)C(C)SCC1(CC(=O)O)CC1
InChIInChI=1S/C11H18N2O4S/c1-7(9(16)13-10(17)12-2)18-6-11(3-4-11)5-8(14)15/h7H,3-6H2,1-2H3,(H,14,15)(H2,12,13,16,17)
InChIKeyDJFOISJAXPQZSF-UHFFFAOYSA-N
XLogP0.82
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]sulfanylmethyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]sulfanylmethyl]cyclopropyl]acetic acid (CID 65442506) is 2-[1-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]sulfanylmethyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]sulfanylmethyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]sulfanylmethyl]cyclopropyl]acetic acid is CNC(=O)NC(=O)C(C)SCC1(CC(=O)O)CC1.
What is the InChIKey of 2-[1-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]sulfanylmethyl]cyclopropyl]acetic acid?
The InChIKey is DJFOISJAXPQZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-7(9(16)13-10(17)12-2)18-6-11(3-4-11)5-8(14)15/h7H,3-6H2,1-2H3,(H,14,15)(H2,12,13,16,17).
What are the key properties of 2-[1-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]sulfanylmethyl]cyclopropyl]acetic acid?
2-[1-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]sulfanylmethyl]cyclopropyl]acetic acid has a molecular weight of 274.34 g/mol, XLogP of 0.82, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]sulfanylmethyl]cyclopropyl]acetic acid is sourced from PubChem (CID 65442506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).