(2S)-2-(2-methylsulfanylethyl)azetidine-2-carboxylic acid

C7H13NO2S — CID 131206611

IUPAC(2S)-2-(2-methylsulfanylethyl)azetidine-2-carboxylic acid
SMILESCSCC[C@]1(C(=O)O)CCN1
InChIInChI=1S/C7H13NO2S/c1-11-5-3-7(6(9)10)2-4-8-7/h8H,2-5H2,1H3,(H,9,10)/t7-/m0/s1
InChIKeyDQFINLNXDICTOP-ZETCQYMHSA-N
MW175.25 g/mol
LogP0.56
Rot. Bonds4

About (2S)-2-(2-methylsulfanylethyl)azetidine-2-carboxylic acid

(2S)-2-(2-methylsulfanylethyl)azetidine-2-carboxylic acid (PubChem CID 131206611) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is (2S)-2-(2-methylsulfanylethyl)azetidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-(2-methylsulfanylethyl)azetidine-2-carboxylic acid
PubChem CID131206611
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC Name(2S)-2-(2-methylsulfanylethyl)azetidine-2-carboxylic acid
SMILESCSCC[C@]1(C(=O)O)CCN1
InChIInChI=1S/C7H13NO2S/c1-11-5-3-7(6(9)10)2-4-8-7/h8H,2-5H2,1H3,(H,9,10)/t7-/m0/s1
InChIKeyDQFINLNXDICTOP-ZETCQYMHSA-N
XLogP0.56
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(carboxymethyl)azetidine-2-carboxylic acid
CID 141407801
(2S)-2-propylpiperidine-2-carboxylic acid
CID 101384273
2-(3,3-dimethylbutyl)pyrrolidine-2-carboxylic acid
CID 83080746
2-(2-propoxyethyl)pyrrolidine-2-carboxylic acid
CID 106454936
2-(2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid
CID 115103385
2-(4-boronobutyl)pyrrolidine-2-carboxylic acid
CID 66832567
2-pent-4-enylpyrrolidine-2-carboxylic acid
CID 115563174
2-(2-methylprop-2-enyl)pyrrolidine-2-carboxylic acid
CID 83080312
2-[(E)-but-2-enyl]pyrrolidine-2-carboxylic acid
CID 115563173
N-(4-methylsulfanylbutyl)-2-propylpyrrolidine-2-carboxamide
CID 106975806
2-[2-(2-methoxyphenoxy)ethyl]pyrrolidine-2-carboxylic acid
CID 83080487
3-propyl-1,4-oxazepane-3-carboxylic acid
CID 105442568

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-methylsulfanylethyl)azetidine-2-carboxylic acid?
The IUPAC name of (2S)-2-(2-methylsulfanylethyl)azetidine-2-carboxylic acid (CID 131206611) is (2S)-2-(2-methylsulfanylethyl)azetidine-2-carboxylic acid.
What is the SMILES notation for (2S)-2-(2-methylsulfanylethyl)azetidine-2-carboxylic acid?
The canonical SMILES for (2S)-2-(2-methylsulfanylethyl)azetidine-2-carboxylic acid is CSCC[C@]1(C(=O)O)CCN1.
What is the InChIKey of (2S)-2-(2-methylsulfanylethyl)azetidine-2-carboxylic acid?
The InChIKey is DQFINLNXDICTOP-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H13NO2S/c1-11-5-3-7(6(9)10)2-4-8-7/h8H,2-5H2,1H3,(H,9,10)/t7-/m0/s1.
What are the key properties of (2S)-2-(2-methylsulfanylethyl)azetidine-2-carboxylic acid?
(2S)-2-(2-methylsulfanylethyl)azetidine-2-carboxylic acid has a molecular weight of 175.25 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-methylsulfanylethyl)azetidine-2-carboxylic acid is sourced from PubChem (CID 131206611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).