1-(3-methoxy-2-methylpropyl)sulfonylpyrrolidine-2-carboxylic acid

C10H19NO5S — CID 122068683

IUPAC1-(3-methoxy-2-methylpropyl)sulfonylpyrrolidine-2-carboxylic acid
SMILESCOCC(C)CS(=O)(=O)N1CCCC1C(=O)O
InChIInChI=1S/C10H19NO5S/c1-8(6-16-2)7-17(14,15)11-5-3-4-9(11)10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyMTIKOOBXPVRAHI-UHFFFAOYSA-N
MW265.33 g/mol
LogP0.15
Rot. Bonds6

About 1-(3-methoxy-2-methylpropyl)sulfonylpyrrolidine-2-carboxylic acid

1-(3-methoxy-2-methylpropyl)sulfonylpyrrolidine-2-carboxylic acid (PubChem CID 122068683) has the molecular formula C10H19NO5S and a molecular weight of 265.33 g/mol. Its IUPAC name is 1-(3-methoxy-2-methylpropyl)sulfonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-methoxy-2-methylpropyl)sulfonylpyrrolidine-2-carboxylic acid
PubChem CID122068683
Molecular FormulaC10H19NO5S
Molecular Weight265.33 g/mol
Exact Mass265.10
IUPAC Name1-(3-methoxy-2-methylpropyl)sulfonylpyrrolidine-2-carboxylic acid
SMILESCOCC(C)CS(=O)(=O)N1CCCC1C(=O)O
InChIInChI=1S/C10H19NO5S/c1-8(6-16-2)7-17(14,15)11-5-3-4-9(11)10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyMTIKOOBXPVRAHI-UHFFFAOYSA-N
XLogP0.15
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-1-(3-methoxy-2-methylpropyl)sulfonyl-2-methylpiperidine-3-carboxylic acid
CID 122104935
1-(2-methoxypropylsulfonyl)piperidine-2-carboxylic acid
CID 122070213
(2S)-1-(2-methoxy-2-oxoethyl)sulfonylpyrrolidine-2-carboxylic acid
CID 61359148
(2R)-1-(3-methylbutylsulfonyl)pyrrolidine-2-carboxylic acid
CID 78952354
ethyl 1-(3-chloro-2-methylpropyl)sulfonylpyrrolidine-2-carboxylate
CID 79586314
1-(2-propan-2-yloxyethylsulfonyl)azepane-2-carboxylic acid
CID 79594113
(2S)-1-propylsulfonylpyrrolidine-2-carboxylic acid
CID 7131642
(2R)-1-(2-methoxy-3-phenylpropyl)sulfonylpyrrolidine-2-carboxylic acid
CID 122103397
(2S)-1-(2-methoxy-3-phenylpropyl)sulfonylpyrrolidine-2-carboxylic acid
CID 122103401
(2R)-1-(1-methoxy-1-oxopropan-2-yl)sulfonylpyrrolidine-2-carboxylic acid
CID 78923146
(2S,3S)-2-methyl-1-(2-methylbutylsulfonyl)piperidine-3-carboxylic acid
CID 122105024
(2S)-1-prop-2-enylsulfonylpyrrolidine-2-carboxylic acid
CID 79673182

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-2-methylpropyl)sulfonylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(3-methoxy-2-methylpropyl)sulfonylpyrrolidine-2-carboxylic acid (CID 122068683) is 1-(3-methoxy-2-methylpropyl)sulfonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-methoxy-2-methylpropyl)sulfonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(3-methoxy-2-methylpropyl)sulfonylpyrrolidine-2-carboxylic acid is COCC(C)CS(=O)(=O)N1CCCC1C(=O)O.
What is the InChIKey of 1-(3-methoxy-2-methylpropyl)sulfonylpyrrolidine-2-carboxylic acid?
The InChIKey is MTIKOOBXPVRAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5S/c1-8(6-16-2)7-17(14,15)11-5-3-4-9(11)10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 1-(3-methoxy-2-methylpropyl)sulfonylpyrrolidine-2-carboxylic acid?
1-(3-methoxy-2-methylpropyl)sulfonylpyrrolidine-2-carboxylic acid has a molecular weight of 265.33 g/mol, XLogP of 0.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-2-methylpropyl)sulfonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 122068683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).