(2S)-4-hydroxy-1-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]pyrrolidine-2-carboxylic acid

C11H21N3O6S — CID 63858835

IUPAC(2S)-4-hydroxy-1-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)(CNC(=O)N1CC(O)C[C@H]1C(=O)O)NS(C)(=O)=O
InChIInChI=1S/C11H21N3O6S/c1-11(2,13-21(3,19)20)6-12-10(18)14-5-7(15)4-8(14)9(16)17/h7-8,13,15H,4-6H2,1-3H3,(H,12,18)(H,16,17)/t7?,8-/m0/s1
InChIKeyMLOBSCIDOPJMPW-MQWKRIRWSA-N
MW323.37 g/mol
LogP-1.46
Rot. Bonds5

About (2S)-4-hydroxy-1-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]pyrrolidine-2-carboxylic acid

(2S)-4-hydroxy-1-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 63858835) has the molecular formula C11H21N3O6S and a molecular weight of 323.37 g/mol. Its IUPAC name is (2S)-4-hydroxy-1-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-1-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID63858835
Molecular FormulaC11H21N3O6S
Molecular Weight323.37 g/mol
Exact Mass323.12
IUPAC Name(2S)-4-hydroxy-1-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)(CNC(=O)N1CC(O)C[C@H]1C(=O)O)NS(C)(=O)=O
InChIInChI=1S/C11H21N3O6S/c1-11(2,13-21(3,19)20)6-12-10(18)14-5-7(15)4-8(14)9(16)17/h7-8,13,15H,4-6H2,1-3H3,(H,12,18)(H,16,17)/t7?,8-/m0/s1
InChIKeyMLOBSCIDOPJMPW-MQWKRIRWSA-N
XLogP-1.46
TPSA136.04 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 5-1.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2S)-4-hydroxy-1-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]pyrrolidine-2-carboxylic acid with MolForge

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Related Compounds

(2S,4R)-1-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 106279083
(2S)-4-hydroxy-1-[(2-methyl-2-methylsulfanylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 104864507
(2S,4S)-4-hydroxy-1-(3-methylbutylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 64714620
(2S,4R)-1-(butylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 27339570
(2S)-1-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 115356653
(2R,4R)-1-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 115356743
(2S,4S)-4-hydroxy-1-(2-methylsulfanylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 64714838
4-hydroxy-1-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 103994406
(2R,4R)-1-(3,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 30079769
(2S)-1-[2-(carbamoylamino)ethylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 83112729
(2R,4R)-1-(2-cyclopentylethylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000176
(2S)-1-[2-(dimethylcarbamoylamino)ethylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 83112160

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-1-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-4-hydroxy-1-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]pyrrolidine-2-carboxylic acid (CID 63858835) is (2S)-4-hydroxy-1-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-hydroxy-1-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-4-hydroxy-1-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]pyrrolidine-2-carboxylic acid is CC(C)(CNC(=O)N1CC(O)C[C@H]1C(=O)O)NS(C)(=O)=O.
What is the InChIKey of (2S)-4-hydroxy-1-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is MLOBSCIDOPJMPW-MQWKRIRWSA-N. The full InChI is InChI=1S/C11H21N3O6S/c1-11(2,13-21(3,19)20)6-12-10(18)14-5-7(15)4-8(14)9(16)17/h7-8,13,15H,4-6H2,1-3H3,(H,12,18)(H,16,17)/t7?,8-/m0/s1.
What are the key properties of (2S)-4-hydroxy-1-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]pyrrolidine-2-carboxylic acid?
(2S)-4-hydroxy-1-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 323.37 g/mol, XLogP of -1.46, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-1-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 63858835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).