2-[1-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfinylmethyl]cyclopropyl]acetic acid

C12H20N2O5S — CID 65441569

IUPAC2-[1-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfinylmethyl]cyclopropyl]acetic acid
SMILESCCNC(=O)NC(=O)C(C)S(=O)CC1(CC(=O)O)CC1
InChIInChI=1S/C12H20N2O5S/c1-3-13-11(18)14-10(17)8(2)20(19)7-12(4-5-12)6-9(15)16/h8H,3-7H2,1-2H3,(H,15,16)(H2,13,14,17,18)
InChIKeyFRFUZYQZNSLVBU-UHFFFAOYSA-N
MW304.37 g/mol
LogP0.22
Rot. Bonds7

About 2-[1-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfinylmethyl]cyclopropyl]acetic acid

2-[1-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfinylmethyl]cyclopropyl]acetic acid (PubChem CID 65441569) has the molecular formula C12H20N2O5S and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-[1-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfinylmethyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfinylmethyl]cyclopropyl]acetic acid
PubChem CID65441569
Molecular FormulaC12H20N2O5S
Molecular Weight304.37 g/mol
Exact Mass304.11
IUPAC Name2-[1-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfinylmethyl]cyclopropyl]acetic acid
SMILESCCNC(=O)NC(=O)C(C)S(=O)CC1(CC(=O)O)CC1
InChIInChI=1S/C12H20N2O5S/c1-3-13-11(18)14-10(17)8(2)20(19)7-12(4-5-12)6-9(15)16/h8H,3-7H2,1-2H3,(H,15,16)(H2,13,14,17,18)
InChIKeyFRFUZYQZNSLVBU-UHFFFAOYSA-N
XLogP0.22
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[1-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfinylmethyl]cyclopropyl]acetic acid with MolForge

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Related Compounds

2-[1-[[1-(methylamino)-1-oxopropan-2-yl]sulfinylmethyl]cyclopropyl]acetic acid
CID 65442762
2-[1-[[1-(butan-2-ylamino)-1-oxopropan-2-yl]sulfinylmethyl]cyclopropyl]acetic acid
CID 65442563
N-(ethylcarbamoyl)-2-[(1-propylcyclopropyl)methylamino]propanamide
CID 113256759
3-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]amino]propanoic acid
CID 43466733
methyl 2-[1-(propan-2-ylsulfinylmethyl)cyclopropyl]acetate
CID 107777841
N-(ethylcarbamoyl)-2-piperazin-1-ylpropanamide
CID 43089574
N-(ethylcarbamoyl)-2-[(1-methylcyclopropyl)methylamino]propanamide
CID 103724729
2-[1-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102659595
2-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]-propylamino]acetic acid
CID 54899159
2-[1-(pentylsulfinylmethyl)cyclopropyl]acetic acid
CID 65442352
2-[1-[[1-(butylamino)-1-oxopropan-2-yl]sulfonylmethyl]cyclopropyl]acetic acid
CID 65441737
N-(ethylcarbamoyl)-2-(3-hydroxyazetidin-1-yl)propanamide
CID 63282323

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfinylmethyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfinylmethyl]cyclopropyl]acetic acid (CID 65441569) is 2-[1-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfinylmethyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfinylmethyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfinylmethyl]cyclopropyl]acetic acid is CCNC(=O)NC(=O)C(C)S(=O)CC1(CC(=O)O)CC1.
What is the InChIKey of 2-[1-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfinylmethyl]cyclopropyl]acetic acid?
The InChIKey is FRFUZYQZNSLVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5S/c1-3-13-11(18)14-10(17)8(2)20(19)7-12(4-5-12)6-9(15)16/h8H,3-7H2,1-2H3,(H,15,16)(H2,13,14,17,18).
What are the key properties of 2-[1-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfinylmethyl]cyclopropyl]acetic acid?
2-[1-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfinylmethyl]cyclopropyl]acetic acid has a molecular weight of 304.37 g/mol, XLogP of 0.22, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfinylmethyl]cyclopropyl]acetic acid is sourced from PubChem (CID 65441569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).