1-[2-[ethylsulfonyl(methyl)amino]acetyl]pyrrolidine-2-carboxylic acid

C10H18N2O5S — CID 119355518

IUPAC1-[2-[ethylsulfonyl(methyl)amino]acetyl]pyrrolidine-2-carboxylic acid
SMILESCCS(=O)(=O)N(C)CC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C10H18N2O5S/c1-3-18(16,17)11(2)7-9(13)12-6-4-5-8(12)10(14)15/h8H,3-7H2,1-2H3,(H,14,15)
InChIKeyUPNJSSYEVWYWSJ-UHFFFAOYSA-N
MW278.33 g/mol
LogP-0.66
Rot. Bonds5

About 1-[2-[ethylsulfonyl(methyl)amino]acetyl]pyrrolidine-2-carboxylic acid

1-[2-[ethylsulfonyl(methyl)amino]acetyl]pyrrolidine-2-carboxylic acid (PubChem CID 119355518) has the molecular formula C10H18N2O5S and a molecular weight of 278.33 g/mol. Its IUPAC name is 1-[2-[ethylsulfonyl(methyl)amino]acetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-[ethylsulfonyl(methyl)amino]acetyl]pyrrolidine-2-carboxylic acid
PubChem CID119355518
Molecular FormulaC10H18N2O5S
Molecular Weight278.33 g/mol
Exact Mass278.09
IUPAC Name1-[2-[ethylsulfonyl(methyl)amino]acetyl]pyrrolidine-2-carboxylic acid
SMILESCCS(=O)(=O)N(C)CC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C10H18N2O5S/c1-3-18(16,17)11(2)7-9(13)12-6-4-5-8(12)10(14)15/h8H,3-7H2,1-2H3,(H,14,15)
InChIKeyUPNJSSYEVWYWSJ-UHFFFAOYSA-N
XLogP-0.66
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[2-[ethylsulfonyl(methyl)amino]acetyl]pyrrolidine-2-carboxylic acid
CID 119370547
1-[2-[methyl(methylsulfonyl)amino]acetyl]pyrrolidine-2-carboxylic acid
CID 119356149
1-[2-(dimethylamino)acetyl]piperidine-2-carboxylic acid
CID 79018258
N-methyl-N-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]ethanesulfonamide
CID 119649940
(2S)-1-[2-[carboxymethyl(propyl)amino]acetyl]pyrrolidine-2-carboxylic acid
CID 70464697
1-(2-propylsulfonylacetyl)pyrrolidine-2-carboxylic acid
CID 119355643
(2S)-1-[2-(butanoylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 119365379
1-(3-oxopentanoyl)pyrrolidine-2-carboxylic acid
CID 59676020
(2R)-1-nonanoylpyrrolidine-2-carboxylic acid
CID 69287146
CID 160598111
CID 160598111
(2S)-1-(2-methylsulfanylacetyl)pyrrolidine-2-carboxylic acid
CID 13208313
1-(2-methoxyacetyl)pyrrolidine-2-carboxylic acid
CID 16773864

Frequently Asked Questions

What is the IUPAC name of 1-[2-[ethylsulfonyl(methyl)amino]acetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-[ethylsulfonyl(methyl)amino]acetyl]pyrrolidine-2-carboxylic acid (CID 119355518) is 1-[2-[ethylsulfonyl(methyl)amino]acetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-[ethylsulfonyl(methyl)amino]acetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-[ethylsulfonyl(methyl)amino]acetyl]pyrrolidine-2-carboxylic acid is CCS(=O)(=O)N(C)CC(=O)N1CCCC1C(=O)O.
What is the InChIKey of 1-[2-[ethylsulfonyl(methyl)amino]acetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is UPNJSSYEVWYWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O5S/c1-3-18(16,17)11(2)7-9(13)12-6-4-5-8(12)10(14)15/h8H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 1-[2-[ethylsulfonyl(methyl)amino]acetyl]pyrrolidine-2-carboxylic acid?
1-[2-[ethylsulfonyl(methyl)amino]acetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 278.33 g/mol, XLogP of -0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[ethylsulfonyl(methyl)amino]acetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119355518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).