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

C9H16N2O5S — CID 119356149

IUPAC1-[2-[methyl(methylsulfonyl)amino]acetyl]pyrrolidine-2-carboxylic acid
SMILESCN(CC(=O)N1CCCC1C(=O)O)S(C)(=O)=O
InChIInChI=1S/C9H16N2O5S/c1-10(17(2,15)16)6-8(12)11-5-3-4-7(11)9(13)14/h7H,3-6H2,1-2H3,(H,13,14)
InChIKeyWHELSGABYQHZIX-UHFFFAOYSA-N
MW264.30 g/mol
LogP-1.05
Rot. Bonds4

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

1-[2-[methyl(methylsulfonyl)amino]acetyl]pyrrolidine-2-carboxylic acid (PubChem CID 119356149) has the molecular formula C9H16N2O5S and a molecular weight of 264.30 g/mol. Its IUPAC name is 1-[2-[methyl(methylsulfonyl)amino]acetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-[methyl(methylsulfonyl)amino]acetyl]pyrrolidine-2-carboxylic acid
PubChem CID119356149
Molecular FormulaC9H16N2O5S
Molecular Weight264.30 g/mol
Exact Mass264.08
IUPAC Name1-[2-[methyl(methylsulfonyl)amino]acetyl]pyrrolidine-2-carboxylic acid
SMILESCN(CC(=O)N1CCCC1C(=O)O)S(C)(=O)=O
InChIInChI=1S/C9H16N2O5S/c1-10(17(2,15)16)6-8(12)11-5-3-4-7(11)9(13)14/h7H,3-6H2,1-2H3,(H,13,14)
InChIKeyWHELSGABYQHZIX-UHFFFAOYSA-N
XLogP-1.05
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 5-1.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[ethylsulfonyl(methyl)amino]acetyl]pyrrolidine-2-carboxylic acid
CID 119355518
(2R)-1-[2-[ethylsulfonyl(methyl)amino]acetyl]pyrrolidine-2-carboxylic acid
CID 119370547
1-[2-(dimethylamino)acetyl]piperidine-2-carboxylic acid
CID 79018258
N-methyl-N-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide
CID 119650584
(2S)-1-(2-methylsulfonylacetyl)piperidine-2-carboxylic acid
CID 66263848
(2S)-1-[2-[carboxymethyl(propyl)amino]acetyl]pyrrolidine-2-carboxylic acid
CID 70464697
N-methyl-N-[2-oxo-2-[(2S)-2-pyridin-4-ylpyrrolidin-1-yl]ethyl]methanesulfonamide
CID 94097785
(2S)-1-(2-methylsulfanylacetyl)pyrrolidine-2-carboxylic acid
CID 13208313
1-(2-methoxyacetyl)pyrrolidine-2-carboxylic acid
CID 16773864
(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 68940110
1-(2-propylsulfonylacetyl)pyrrolidine-2-carboxylic acid
CID 119355643
1-(3-oxopentanoyl)pyrrolidine-2-carboxylic acid
CID 59676020

Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl(methylsulfonyl)amino]acetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-[methyl(methylsulfonyl)amino]acetyl]pyrrolidine-2-carboxylic acid (CID 119356149) is 1-[2-[methyl(methylsulfonyl)amino]acetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-[methyl(methylsulfonyl)amino]acetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-[methyl(methylsulfonyl)amino]acetyl]pyrrolidine-2-carboxylic acid is CN(CC(=O)N1CCCC1C(=O)O)S(C)(=O)=O.
What is the InChIKey of 1-[2-[methyl(methylsulfonyl)amino]acetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is WHELSGABYQHZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O5S/c1-10(17(2,15)16)6-8(12)11-5-3-4-7(11)9(13)14/h7H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 1-[2-[methyl(methylsulfonyl)amino]acetyl]pyrrolidine-2-carboxylic acid?
1-[2-[methyl(methylsulfonyl)amino]acetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 264.30 g/mol, XLogP of -1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl(methylsulfonyl)amino]acetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119356149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).