(2S)-1-(cyclopropylmethylsulfonyl)-4-hydroxypyrrolidine-2-carboxylic acid

C9H15NO5S — CID 64987540

IUPAC(2S)-1-(cyclopropylmethylsulfonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CC(O)CN1S(=O)(=O)CC1CC1
InChIInChI=1S/C9H15NO5S/c11-7-3-8(9(12)13)10(4-7)16(14,15)5-6-1-2-6/h6-8,11H,1-5H2,(H,12,13)/t7?,8-/m0/s1
InChIKeyXIQCYEXJJVPGQA-MQWKRIRWSA-N
MW249.29 g/mol
LogP-0.75
Rot. Bonds4

About (2S)-1-(cyclopropylmethylsulfonyl)-4-hydroxypyrrolidine-2-carboxylic acid

(2S)-1-(cyclopropylmethylsulfonyl)-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 64987540) has the molecular formula C9H15NO5S and a molecular weight of 249.29 g/mol. Its IUPAC name is (2S)-1-(cyclopropylmethylsulfonyl)-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(cyclopropylmethylsulfonyl)-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID64987540
Molecular FormulaC9H15NO5S
Molecular Weight249.29 g/mol
Exact Mass249.07
IUPAC Name(2S)-1-(cyclopropylmethylsulfonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CC(O)CN1S(=O)(=O)CC1CC1
InChIInChI=1S/C9H15NO5S/c11-7-3-8(9(12)13)10(4-7)16(14,15)5-6-1-2-6/h6-8,11H,1-5H2,(H,12,13)/t7?,8-/m0/s1
InChIKeyXIQCYEXJJVPGQA-MQWKRIRWSA-N
XLogP-0.75
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-4-hydroxy-1-(2-methylpropylsulfonyl)pyrrolidine-2-carboxylic acid
CID 64714253
(2S,4S)-4-hydroxy-1-(2-methoxy-2-oxoethyl)sulfonylpyrrolidine-2-carboxylic acid
CID 64712340
(2R,4R)-1-(2-ethoxy-2-oxoethyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 78999845
(2S)-1-(3-ethoxy-3-oxopropyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 61459284
1-(cyclopropylmethylsulfonyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66052985
1-(ethylsulfamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 114805196
1-(cyclopropylmethylsulfonyl)-5-oxopiperazine-2-carboxylic acid
CID 107435332
(2R,4R)-4-hydroxy-1-(2-pyridin-4-ylethylsulfonyl)pyrrolidine-2-carboxylic acid
CID 79000827
(2S)-1-(dipropylsulfamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 61143709
(2S,4S)-4-hydroxy-1-(4-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylic acid
CID 64714429
(2S,4S)-4-hydroxy-1-(2,2,2-trifluoroethylsulfamoyl)pyrrolidine-2-carboxylic acid
CID 104977931
(2R,4R)-1-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000977

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(cyclopropylmethylsulfonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(cyclopropylmethylsulfonyl)-4-hydroxypyrrolidine-2-carboxylic acid (CID 64987540) is (2S)-1-(cyclopropylmethylsulfonyl)-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(cyclopropylmethylsulfonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(cyclopropylmethylsulfonyl)-4-hydroxypyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CC(O)CN1S(=O)(=O)CC1CC1.
What is the InChIKey of (2S)-1-(cyclopropylmethylsulfonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is XIQCYEXJJVPGQA-MQWKRIRWSA-N. The full InChI is InChI=1S/C9H15NO5S/c11-7-3-8(9(12)13)10(4-7)16(14,15)5-6-1-2-6/h6-8,11H,1-5H2,(H,12,13)/t7?,8-/m0/s1.
What are the key properties of (2S)-1-(cyclopropylmethylsulfonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
(2S)-1-(cyclopropylmethylsulfonyl)-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 249.29 g/mol, XLogP of -0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(cyclopropylmethylsulfonyl)-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 64987540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).