2-[1-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetic acid

C12H19NO4S — CID 65442354

IUPAC2-[1-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetic acid
SMILESCN(C(=O)CS(=O)CC1(CC(=O)O)CC1)C1CC1
InChIInChI=1S/C12H19NO4S/c1-13(9-2-3-9)10(14)7-18(17)8-12(4-5-12)6-11(15)16/h9H,2-8H2,1H3,(H,15,16)
InChIKeyUXIGYNBPVKIVMD-UHFFFAOYSA-N
MW273.35 g/mol
LogP0.61
Rot. Bonds7

About 2-[1-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetic acid

2-[1-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetic acid (PubChem CID 65442354) has the molecular formula C12H19NO4S and a molecular weight of 273.35 g/mol. Its IUPAC name is 2-[1-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetic acid
PubChem CID65442354
Molecular FormulaC12H19NO4S
Molecular Weight273.35 g/mol
Exact Mass273.10
IUPAC Name2-[1-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetic acid
SMILESCN(C(=O)CS(=O)CC1(CC(=O)O)CC1)C1CC1
InChIInChI=1S/C12H19NO4S/c1-13(9-2-3-9)10(14)7-18(17)8-12(4-5-12)6-11(15)16/h9H,2-8H2,1H3,(H,15,16)
InChIKeyUXIGYNBPVKIVMD-UHFFFAOYSA-N
XLogP0.61
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetic acid
CID 65443743
2-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]sulfinyl-2-methylpropanoic acid
CID 81229082
2-[1-(pentylsulfinylmethyl)cyclopropyl]acetic acid
CID 65442352
methyl 2-[1-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetate
CID 107777860
4-[cyclopropyl(methyl)amino]-4-oxobutanoic acid
CID 43264711
2-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]sulfinylbutanoic acid
CID 105355585
methyl 2-[1-[[2-(cyclopropylamino)-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetate
CID 114000414
2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-methylamino]acetic acid
CID 61489399
2-[1-(benzylsulfinylmethyl)cyclopropyl]acetic acid
CID 65444144
2-[1-[[2-(benzylamino)-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetic acid
CID 65444342
2-[1-[2-(3-methylbutoxy)ethylsulfinylmethyl]cyclopropyl]acetic acid
CID 65441761
2-[1-[[cyclopropyl(methyl)carbamoyl]amino]cyclopentyl]acetic acid
CID 64702597

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetic acid (CID 65442354) is 2-[1-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetic acid is CN(C(=O)CS(=O)CC1(CC(=O)O)CC1)C1CC1.
What is the InChIKey of 2-[1-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetic acid?
The InChIKey is UXIGYNBPVKIVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4S/c1-13(9-2-3-9)10(14)7-18(17)8-12(4-5-12)6-11(15)16/h9H,2-8H2,1H3,(H,15,16).
What are the key properties of 2-[1-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetic acid?
2-[1-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetic acid has a molecular weight of 273.35 g/mol, XLogP of 0.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetic acid is sourced from PubChem (CID 65442354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).