1-[2-(methanesulfonamido)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid

C10H19N3O5S — CID 63149485

IUPAC1-[2-(methanesulfonamido)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)NCCNS(C)(=O)=O)C1
InChIInChI=1S/C10H19N3O5S/c1-10(8(14)15)3-6-13(7-10)9(16)11-4-5-12-19(2,17)18/h12H,3-7H2,1-2H3,(H,11,16)(H,14,15)
InChIKeyCPQZAQUQUYZABV-UHFFFAOYSA-N
MW293.35 g/mol
LogP-0.96
Rot. Bonds5

About 1-[2-(methanesulfonamido)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid

1-[2-(methanesulfonamido)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 63149485) has the molecular formula C10H19N3O5S and a molecular weight of 293.35 g/mol. Its IUPAC name is 1-[2-(methanesulfonamido)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(methanesulfonamido)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
PubChem CID63149485
Molecular FormulaC10H19N3O5S
Molecular Weight293.35 g/mol
Exact Mass293.10
IUPAC Name1-[2-(methanesulfonamido)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)NCCNS(C)(=O)=O)C1
InChIInChI=1S/C10H19N3O5S/c1-10(8(14)15)3-6-13(7-10)9(16)11-4-5-12-19(2,17)18/h12H,3-7H2,1-2H3,(H,11,16)(H,14,15)
InChIKeyCPQZAQUQUYZABV-UHFFFAOYSA-N
XLogP-0.96
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-1-(2-methylsulfonylethylcarbamoyl)piperidine-3-carboxylic acid
CID 63135714
3-methyl-1-(2-pyrrolidin-1-ylethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 55166161
1-(3-methoxypropylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63149085
1-(2-carbamoyloxyethylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 83203614
3-methyl-1-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 114516429
3-methyl-1-[(1-methylcyclopentyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 63829455
3-methyl-1-[2-(trifluoromethoxy)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122011451
3-methyl-1-[2-(4-methylsulfonylphenoxy)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122001060
3-methyl-1-(prop-2-enylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63145628
3-methyl-1-(3-propoxypropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 82944645
1-[2-(carbamoylamino)ethylcarbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 83114282
3-methylpyrrolidine-1,3-dicarboxylic acid
CID 23111893

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methanesulfonamido)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-(methanesulfonamido)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid (CID 63149485) is 1-[2-(methanesulfonamido)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(methanesulfonamido)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(methanesulfonamido)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid is CC1(C(=O)O)CCN(C(=O)NCCNS(C)(=O)=O)C1.
What is the InChIKey of 1-[2-(methanesulfonamido)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is CPQZAQUQUYZABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O5S/c1-10(8(14)15)3-6-13(7-10)9(16)11-4-5-12-19(2,17)18/h12H,3-7H2,1-2H3,(H,11,16)(H,14,15).
What are the key properties of 1-[2-(methanesulfonamido)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
1-[2-(methanesulfonamido)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 293.35 g/mol, XLogP of -0.96, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methanesulfonamido)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63149485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).