(2S,4R)-4-cyclopropylsulfonylpyrrolidine-2-carboxylic acid;hydrochloride

C8H14ClNO4S — CID 174211245

IUPAC(2S,4R)-4-cyclopropylsulfonylpyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@@H]1C[C@@H](S(=O)(=O)C2CC2)CN1
InChIInChI=1S/C8H13NO4S.ClH/c10-8(11)7-3-6(4-9-7)14(12,13)5-1-2-5;/h5-7,9H,1-4H2,(H,10,11);1H/t6-,7+;/m1./s1
InChIKeyFNPUIZDQMGFYAB-HHQFNNIRSA-N
MW255.72 g/mol
LogP-0.20
Rot. Bonds3

About (2S,4R)-4-cyclopropylsulfonylpyrrolidine-2-carboxylic acid;hydrochloride

(2S,4R)-4-cyclopropylsulfonylpyrrolidine-2-carboxylic acid;hydrochloride (PubChem CID 174211245) has the molecular formula C8H14ClNO4S and a molecular weight of 255.72 g/mol. Its IUPAC name is (2S,4R)-4-cyclopropylsulfonylpyrrolidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(2S,4R)-4-cyclopropylsulfonylpyrrolidine-2-carboxylic acid;hydrochloride
PubChem CID174211245
Molecular FormulaC8H14ClNO4S
Molecular Weight255.72 g/mol
Exact Mass255.03
IUPAC Name(2S,4R)-4-cyclopropylsulfonylpyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@@H]1C[C@@H](S(=O)(=O)C2CC2)CN1
InChIInChI=1S/C8H13NO4S.ClH/c10-8(11)7-3-6(4-9-7)14(12,13)5-1-2-5;/h5-7,9H,1-4H2,(H,10,11);1H/t6-,7+;/m1./s1
InChIKeyFNPUIZDQMGFYAB-HHQFNNIRSA-N
XLogP-0.20
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.72
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-cyclopropylsulfonylpyrrolidine-2-carboxylic acid;hydrochloride?
The IUPAC name of (2S,4R)-4-cyclopropylsulfonylpyrrolidine-2-carboxylic acid;hydrochloride (CID 174211245) is (2S,4R)-4-cyclopropylsulfonylpyrrolidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for (2S,4R)-4-cyclopropylsulfonylpyrrolidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for (2S,4R)-4-cyclopropylsulfonylpyrrolidine-2-carboxylic acid;hydrochloride is Cl.O=C(O)[C@@H]1C[C@@H](S(=O)(=O)C2CC2)CN1.
What is the InChIKey of (2S,4R)-4-cyclopropylsulfonylpyrrolidine-2-carboxylic acid;hydrochloride?
The InChIKey is FNPUIZDQMGFYAB-HHQFNNIRSA-N. The full InChI is InChI=1S/C8H13NO4S.ClH/c10-8(11)7-3-6(4-9-7)14(12,13)5-1-2-5;/h5-7,9H,1-4H2,(H,10,11);1H/t6-,7+;/m1./s1.
What are the key properties of (2S,4R)-4-cyclopropylsulfonylpyrrolidine-2-carboxylic acid;hydrochloride?
(2S,4R)-4-cyclopropylsulfonylpyrrolidine-2-carboxylic acid;hydrochloride has a molecular weight of 255.72 g/mol, XLogP of -0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-cyclopropylsulfonylpyrrolidine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 174211245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).