1-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]pyrrolidine-2-carboxylic acid

C11H21N3O5S — CID 63860599

IUPAC1-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)(CNC(=O)N1CCCC1C(=O)O)NS(C)(=O)=O
InChIInChI=1S/C11H21N3O5S/c1-11(2,13-20(3,18)19)7-12-10(17)14-6-4-5-8(14)9(15)16/h8,13H,4-7H2,1-3H3,(H,12,17)(H,15,16)
InChIKeyHMVBFCQRWCGXOB-UHFFFAOYSA-N
MW307.37 g/mol
LogP-0.43
Rot. Bonds5

About 1-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]pyrrolidine-2-carboxylic acid

1-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 63860599) has the molecular formula C11H21N3O5S and a molecular weight of 307.37 g/mol. Its IUPAC name is 1-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID63860599
Molecular FormulaC11H21N3O5S
Molecular Weight307.37 g/mol
Exact Mass307.12
IUPAC Name1-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)(CNC(=O)N1CCCC1C(=O)O)NS(C)(=O)=O
InChIInChI=1S/C11H21N3O5S/c1-11(2,13-20(3,18)19)7-12-10(17)14-6-4-5-8(14)9(15)16/h8,13H,4-7H2,1-3H3,(H,12,17)(H,15,16)
InChIKeyHMVBFCQRWCGXOB-UHFFFAOYSA-N
XLogP-0.43
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-hydroxy-1-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 63858835
1-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 113364443
1-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 61181569
(2R)-1-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 78923191
1-(3-methylsulfonylpropylcarbamoyl)azepane-2-carboxylic acid
CID 64562929
1-(pentylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61183075
1-[2-(dimethylamino)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 61188498
(2S)-1-(3-methylbutylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 28510076
(2R)-1-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 104931998
1-(prop-2-ynylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61192237
(2S)-1-(3-cyclopentylpropylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 103995479
(2S)-1-(ethylcarbamoyl)piperidine-2-carboxylic acid
CID 66264798

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]pyrrolidine-2-carboxylic acid (CID 63860599) is 1-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]pyrrolidine-2-carboxylic acid is CC(C)(CNC(=O)N1CCCC1C(=O)O)NS(C)(=O)=O.
What is the InChIKey of 1-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is HMVBFCQRWCGXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O5S/c1-11(2,13-20(3,18)19)7-12-10(17)14-6-4-5-8(14)9(15)16/h8,13H,4-7H2,1-3H3,(H,12,17)(H,15,16).
What are the key properties of 1-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]pyrrolidine-2-carboxylic acid?
1-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 307.37 g/mol, XLogP of -0.43, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 63860599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).