(2S)-1-cyclopropylsulfonylazetidine-2-carboxylic acid

C7H11NO4S — CID 130608836

IUPAC(2S)-1-cyclopropylsulfonylazetidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCN1S(=O)(=O)C1CC1
InChIInChI=1S/C7H11NO4S/c9-7(10)6-3-4-8(6)13(11,12)5-1-2-5/h5-6H,1-4H2,(H,9,10)/t6-/m0/s1
InChIKeyJOZYPJPBWQGUNH-LURJTMIESA-N
MW205.23 g/mol
LogP-0.36
Rot. Bonds3

About (2S)-1-cyclopropylsulfonylazetidine-2-carboxylic acid

(2S)-1-cyclopropylsulfonylazetidine-2-carboxylic acid (PubChem CID 130608836) has the molecular formula C7H11NO4S and a molecular weight of 205.23 g/mol. Its IUPAC name is (2S)-1-cyclopropylsulfonylazetidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-cyclopropylsulfonylazetidine-2-carboxylic acid
PubChem CID130608836
Molecular FormulaC7H11NO4S
Molecular Weight205.23 g/mol
Exact Mass205.04
IUPAC Name(2S)-1-cyclopropylsulfonylazetidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCN1S(=O)(=O)C1CC1
InChIInChI=1S/C7H11NO4S/c9-7(10)6-3-4-8(6)13(11,12)5-1-2-5/h5-6H,1-4H2,(H,9,10)/t6-/m0/s1
InChIKeyJOZYPJPBWQGUNH-LURJTMIESA-N
XLogP-0.36
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentylsulfonylpyrrolidine-2-carboxylic acid
CID 105360669
(2S)-1-cyclohexylsulfonylpyrrolidine-2-carboxylic acid
CID 61137595
1-cyclopropylsulfonyl-4-methylpiperidine-2-carboxylic acid
CID 114422142
(2S)-1-(1,1-dioxothian-4-yl)sulfonylpiperidine-2-carboxylic acid
CID 66263114
(3S)-2-cyclopropylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 104895549
1-(1H-pyrrol-3-ylsulfonyl)azetidine-2-carboxylic acid
CID 131140796
methyl 1-cyclopropylsulfonylpiperidine-2-carboxylate
CID 79033025
1-[(2S)-1-cyclopropylsulfonylpiperidin-2-yl]propan-1-one
CID 99786176
1-cyclopropylsulfonylpyrrolidine-2-carbothioamide
CID 64554517
(4R)-3-cyclohexylsulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 61142378
1-cyclopentylsulfonyl-2-methylpiperidine-4-carboxylic acid
CID 106742365
(2S)-1-(trifluoromethylsulfonyl)piperidine-2-carboxylic acid
CID 66262970

Frequently Asked Questions

What is the IUPAC name of (2S)-1-cyclopropylsulfonylazetidine-2-carboxylic acid?
The IUPAC name of (2S)-1-cyclopropylsulfonylazetidine-2-carboxylic acid (CID 130608836) is (2S)-1-cyclopropylsulfonylazetidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-cyclopropylsulfonylazetidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-cyclopropylsulfonylazetidine-2-carboxylic acid is O=C(O)[C@@H]1CCN1S(=O)(=O)C1CC1.
What is the InChIKey of (2S)-1-cyclopropylsulfonylazetidine-2-carboxylic acid?
The InChIKey is JOZYPJPBWQGUNH-LURJTMIESA-N. The full InChI is InChI=1S/C7H11NO4S/c9-7(10)6-3-4-8(6)13(11,12)5-1-2-5/h5-6H,1-4H2,(H,9,10)/t6-/m0/s1.
What are the key properties of (2S)-1-cyclopropylsulfonylazetidine-2-carboxylic acid?
(2S)-1-cyclopropylsulfonylazetidine-2-carboxylic acid has a molecular weight of 205.23 g/mol, XLogP of -0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-cyclopropylsulfonylazetidine-2-carboxylic acid is sourced from PubChem (CID 130608836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).