1-[3-(methanesulfonamido)propylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid

C11H21N3O6S — CID 106340335

IUPAC1-[3-(methanesulfonamido)propylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(C(=O)NCCCNS(C)(=O)=O)C1
InChIInChI=1S/C11H21N3O6S/c1-20-8-6-9(10(15)16)14(7-8)11(17)12-4-3-5-13-21(2,18)19/h8-9,13H,3-7H2,1-2H3,(H,12,17)(H,15,16)
InChIKeyRGITVXOMUTUCNM-UHFFFAOYSA-N
MW323.37 g/mol
LogP-1.19
Rot. Bonds7

About 1-[3-(methanesulfonamido)propylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid

1-[3-(methanesulfonamido)propylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid (PubChem CID 106340335) has the molecular formula C11H21N3O6S and a molecular weight of 323.37 g/mol. Its IUPAC name is 1-[3-(methanesulfonamido)propylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[3-(methanesulfonamido)propylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
PubChem CID106340335
Molecular FormulaC11H21N3O6S
Molecular Weight323.37 g/mol
Exact Mass323.12
IUPAC Name1-[3-(methanesulfonamido)propylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(C(=O)NCCCNS(C)(=O)=O)C1
InChIInChI=1S/C11H21N3O6S/c1-20-8-6-9(10(15)16)14(7-8)11(17)12-4-3-5-13-21(2,18)19/h8-9,13H,3-7H2,1-2H3,(H,12,17)(H,15,16)
InChIKeyRGITVXOMUTUCNM-UHFFFAOYSA-N
XLogP-1.19
TPSA125.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 5-1.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(carbamoylamino)ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 83113219
1-[2-[ethyl(methyl)amino]ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 55097642
4-methoxy-1-(prop-2-ynylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61192351
(4R)-3-[3-(methanesulfonamido)propylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 106340340
1-(cyclobutylmethylcarbamoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 61197043
4-methoxy-1-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 64530789
1-(6-acetamidohexanoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 43359689
1-[3-(methanesulfonamido)propylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 106340351
4-methoxy-1-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 61206593
4-methoxy-1-(2-thiophen-2-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61189499
4-methoxy-1-(piperidin-1-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 83019976
1-(3-acetamidopropanoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 43359652

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methanesulfonamido)propylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[3-(methanesulfonamido)propylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid (CID 106340335) is 1-[3-(methanesulfonamido)propylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[3-(methanesulfonamido)propylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[3-(methanesulfonamido)propylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid is COC1CC(C(=O)O)N(C(=O)NCCCNS(C)(=O)=O)C1.
What is the InChIKey of 1-[3-(methanesulfonamido)propylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid?
The InChIKey is RGITVXOMUTUCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O6S/c1-20-8-6-9(10(15)16)14(7-8)11(17)12-4-3-5-13-21(2,18)19/h8-9,13H,3-7H2,1-2H3,(H,12,17)(H,15,16).
What are the key properties of 1-[3-(methanesulfonamido)propylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid?
1-[3-(methanesulfonamido)propylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid has a molecular weight of 323.37 g/mol, XLogP of -1.19, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methanesulfonamido)propylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106340335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).