2,2-dimethyl-3-[[(2S)-1-methylsulfonylpyrrolidine-2-carbonyl]amino]propanoic acid

C11H20N2O5S — CID 124585096

IUPAC2,2-dimethyl-3-[[(2S)-1-methylsulfonylpyrrolidine-2-carbonyl]amino]propanoic acid
SMILESCC(C)(CNC(=O)[C@@H]1CCCN1S(C)(=O)=O)C(=O)O
InChIInChI=1S/C11H20N2O5S/c1-11(2,10(15)16)7-12-9(14)8-5-4-6-13(8)19(3,17)18/h8H,4-7H2,1-3H3,(H,12,14)(H,15,16)/t8-/m0/s1
InChIKeyZOMCKRRZTFKYSG-QMMMGPOBSA-N
MW292.36 g/mol
LogP-0.36
Rot. Bonds5

About 2,2-dimethyl-3-[[(2S)-1-methylsulfonylpyrrolidine-2-carbonyl]amino]propanoic acid

2,2-dimethyl-3-[[(2S)-1-methylsulfonylpyrrolidine-2-carbonyl]amino]propanoic acid (PubChem CID 124585096) has the molecular formula C11H20N2O5S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2,2-dimethyl-3-[[(2S)-1-methylsulfonylpyrrolidine-2-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[[(2S)-1-methylsulfonylpyrrolidine-2-carbonyl]amino]propanoic acid
PubChem CID124585096
Molecular FormulaC11H20N2O5S
Molecular Weight292.36 g/mol
Exact Mass292.11
IUPAC Name2,2-dimethyl-3-[[(2S)-1-methylsulfonylpyrrolidine-2-carbonyl]amino]propanoic acid
SMILESCC(C)(CNC(=O)[C@@H]1CCCN1S(C)(=O)=O)C(=O)O
InChIInChI=1S/C11H20N2O5S/c1-11(2,10(15)16)7-12-9(14)8-5-4-6-13(8)19(3,17)18/h8H,4-7H2,1-3H3,(H,12,14)(H,15,16)/t8-/m0/s1
InChIKeyZOMCKRRZTFKYSG-QMMMGPOBSA-N
XLogP-0.36
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-3-[(1-methylsulfonylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 81368766
2-hydroxy-2-methyl-3-[(1-methylsulfonylpiperidine-2-carbonyl)amino]propanoic acid
CID 66172342
N-(cyclopropylmethyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 47158071
N-[2-(4-ethylphenyl)-2-methylpropyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 126794993
2,2-dimethyl-3-[(1-methylsulfonylpiperidine-4-carbonyl)amino]propanoic acid
CID 81367181
N-(3-methyl-2-propan-2-ylbutyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 102915113
6-[(1-methylsulfonylpyrrolidine-2-carbonyl)amino]hexanoic acid
CID 43352987
1-[[(1-methylsulfonylpyrrolidine-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 81362844
2-hydroxy-2-methyl-3-[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 66171979
N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 126770196
2-methyl-3-[(1-methylsulfonylpiperidine-2-carbonyl)amino]propanoic acid
CID 62676219
(2R)-1-methylsulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 39855260

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[[(2S)-1-methylsulfonylpyrrolidine-2-carbonyl]amino]propanoic acid?
The IUPAC name of 2,2-dimethyl-3-[[(2S)-1-methylsulfonylpyrrolidine-2-carbonyl]amino]propanoic acid (CID 124585096) is 2,2-dimethyl-3-[[(2S)-1-methylsulfonylpyrrolidine-2-carbonyl]amino]propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-[[(2S)-1-methylsulfonylpyrrolidine-2-carbonyl]amino]propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-[[(2S)-1-methylsulfonylpyrrolidine-2-carbonyl]amino]propanoic acid is CC(C)(CNC(=O)[C@@H]1CCCN1S(C)(=O)=O)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-[[(2S)-1-methylsulfonylpyrrolidine-2-carbonyl]amino]propanoic acid?
The InChIKey is ZOMCKRRZTFKYSG-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H20N2O5S/c1-11(2,10(15)16)7-12-9(14)8-5-4-6-13(8)19(3,17)18/h8H,4-7H2,1-3H3,(H,12,14)(H,15,16)/t8-/m0/s1.
What are the key properties of 2,2-dimethyl-3-[[(2S)-1-methylsulfonylpyrrolidine-2-carbonyl]amino]propanoic acid?
2,2-dimethyl-3-[[(2S)-1-methylsulfonylpyrrolidine-2-carbonyl]amino]propanoic acid has a molecular weight of 292.36 g/mol, XLogP of -0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[[(2S)-1-methylsulfonylpyrrolidine-2-carbonyl]amino]propanoic acid is sourced from PubChem (CID 124585096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).