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

C10H17NO4S — CID 65442762

IUPAC2-[1-[[1-(methylamino)-1-oxopropan-2-yl]sulfinylmethyl]cyclopropyl]acetic acid
SMILESCNC(=O)C(C)S(=O)CC1(CC(=O)O)CC1
InChIInChI=1S/C10H17NO4S/c1-7(9(14)11-2)16(15)6-10(3-4-10)5-8(12)13/h7H,3-6H2,1-2H3,(H,11,14)(H,12,13)
InChIKeyAKYPZJSIVJVMRK-UHFFFAOYSA-N
MW247.32 g/mol
LogP0.12
Rot. Bonds6

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

2-[1-[[1-(methylamino)-1-oxopropan-2-yl]sulfinylmethyl]cyclopropyl]acetic acid (PubChem CID 65442762) has the molecular formula C10H17NO4S and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-[1-[[1-(methylamino)-1-oxopropan-2-yl]sulfinylmethyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[1-(methylamino)-1-oxopropan-2-yl]sulfinylmethyl]cyclopropyl]acetic acid
PubChem CID65442762
Molecular FormulaC10H17NO4S
Molecular Weight247.32 g/mol
Exact Mass247.09
IUPAC Name2-[1-[[1-(methylamino)-1-oxopropan-2-yl]sulfinylmethyl]cyclopropyl]acetic acid
SMILESCNC(=O)C(C)S(=O)CC1(CC(=O)O)CC1
InChIInChI=1S/C10H17NO4S/c1-7(9(14)11-2)16(15)6-10(3-4-10)5-8(12)13/h7H,3-6H2,1-2H3,(H,11,14)(H,12,13)
InChIKeyAKYPZJSIVJVMRK-UHFFFAOYSA-N
XLogP0.12
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[[1-(butan-2-ylamino)-1-oxopropan-2-yl]sulfinylmethyl]cyclopropyl]acetic acid
CID 65442563
2-[1-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfinylmethyl]cyclopropyl]acetic acid
CID 65441569
2-[1-[[1-(methylamino)-1-oxopropan-2-yl]sulfanylmethyl]cyclopropyl]acetic acid
CID 65443701
methyl 2-[1-(propan-2-ylsulfinylmethyl)cyclopropyl]acetate
CID 107777841
2-[1-[2-(3-methylbutoxy)ethylsulfinylmethyl]cyclopropyl]acetic acid
CID 65441761
2-[1-[2-[[1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61464488
2-[1-[methyl-[1-(methylamino)-1-oxopropan-2-yl]amino]cyclohexyl]acetic acid
CID 65243291
2-[1-(pentylsulfinylmethyl)cyclopropyl]acetic acid
CID 65442352
2-[1-(benzylsulfinylmethyl)cyclopropyl]acetic acid
CID 65444144
methyl 2-[1-(2-methylpropylsulfinylmethyl)cyclopropyl]acetate
CID 107777928
2-[1-(butan-2-yloxymethyl)cyclopropyl]acetic acid
CID 65496990
2-[1-(chloromethyl)cyclopropyl]acetic acid
CID 55302932

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[1-(methylamino)-1-oxopropan-2-yl]sulfinylmethyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[[1-(methylamino)-1-oxopropan-2-yl]sulfinylmethyl]cyclopropyl]acetic acid (CID 65442762) is 2-[1-[[1-(methylamino)-1-oxopropan-2-yl]sulfinylmethyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[[1-(methylamino)-1-oxopropan-2-yl]sulfinylmethyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[[1-(methylamino)-1-oxopropan-2-yl]sulfinylmethyl]cyclopropyl]acetic acid is CNC(=O)C(C)S(=O)CC1(CC(=O)O)CC1.
What is the InChIKey of 2-[1-[[1-(methylamino)-1-oxopropan-2-yl]sulfinylmethyl]cyclopropyl]acetic acid?
The InChIKey is AKYPZJSIVJVMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4S/c1-7(9(14)11-2)16(15)6-10(3-4-10)5-8(12)13/h7H,3-6H2,1-2H3,(H,11,14)(H,12,13).
What are the key properties of 2-[1-[[1-(methylamino)-1-oxopropan-2-yl]sulfinylmethyl]cyclopropyl]acetic acid?
2-[1-[[1-(methylamino)-1-oxopropan-2-yl]sulfinylmethyl]cyclopropyl]acetic acid has a molecular weight of 247.32 g/mol, XLogP of 0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[1-(methylamino)-1-oxopropan-2-yl]sulfinylmethyl]cyclopropyl]acetic acid is sourced from PubChem (CID 65442762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).