(2-amino-2-oxoethyl) (2S)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate

C14H18N2O6S — CID 11934998

IUPAC(2-amino-2-oxoethyl) (2S)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate
SMILESCOc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)OCC(N)=O)cc1
InChIInChI=1S/C14H18N2O6S/c1-21-10-4-6-11(7-5-10)23(19,20)16-8-2-3-12(16)14(18)22-9-13(15)17/h4-7,12H,2-3,8-9H2,1H3,(H2,15,17)/t12-/m0/s1
InChIKeyCHGUVJHRMNGNGL-LBPRGKRZSA-N
MW342.37 g/mol
LogP-0.12
Rot. Bonds6

About (2-amino-2-oxoethyl) (2S)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate

(2-amino-2-oxoethyl) (2S)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate (PubChem CID 11934998) has the molecular formula C14H18N2O6S and a molecular weight of 342.37 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) (2S)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) (2S)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate
PubChem CID11934998
Molecular FormulaC14H18N2O6S
Molecular Weight342.37 g/mol
Exact Mass342.09
IUPAC Name(2-amino-2-oxoethyl) (2S)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate
SMILESCOc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)OCC(N)=O)cc1
InChIInChI=1S/C14H18N2O6S/c1-21-10-4-6-11(7-5-10)23(19,20)16-8-2-3-12(16)14(18)22-9-13(15)17/h4-7,12H,2-3,8-9H2,1H3,(H2,15,17)/t12-/m0/s1
InChIKeyCHGUVJHRMNGNGL-LBPRGKRZSA-N
XLogP-0.12
TPSA116.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-cyanophenyl)methyl (2S)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate
CID 11935006
ethyl (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate
CID 25421169
methyl 1-(4-ethoxyphenyl)sulfonylpyrrolidine-2-carboxylate
CID 43409870
(4-methoxyphenyl)-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone
CID 110394931
[2-(4-methoxyphenyl)-2-oxoethyl] 1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxylate
CID 46517279
[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-(4-methoxyphenyl)methanone
CID 110394932
(3-amino-3-oxopropyl) (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate
CID 18291458
2-oxopropyl 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate
CID 42978293
[2-(cyclopropylamino)-2-oxoethyl] (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate
CID 11907586
2-ethyl-1-(4-methoxyphenyl)sulfonylpyrrolidine
CID 110429014
1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
CID 16828016
[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate
CID 43008145

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) (2S)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate?
The IUPAC name of (2-amino-2-oxoethyl) (2S)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate (CID 11934998) is (2-amino-2-oxoethyl) (2S)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate.
What is the SMILES notation for (2-amino-2-oxoethyl) (2S)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate?
The canonical SMILES for (2-amino-2-oxoethyl) (2S)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate is COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)OCC(N)=O)cc1.
What is the InChIKey of (2-amino-2-oxoethyl) (2S)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate?
The InChIKey is CHGUVJHRMNGNGL-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18N2O6S/c1-21-10-4-6-11(7-5-10)23(19,20)16-8-2-3-12(16)14(18)22-9-13(15)17/h4-7,12H,2-3,8-9H2,1H3,(H2,15,17)/t12-/m0/s1.
What are the key properties of (2-amino-2-oxoethyl) (2S)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate?
(2-amino-2-oxoethyl) (2S)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate has a molecular weight of 342.37 g/mol, XLogP of -0.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) (2S)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate is sourced from PubChem (CID 11934998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).