(2S,3R)-2-methylazetidine-3-carboxylic acid

C5H9NO2 — CID 124580692

IUPAC(2S,3R)-2-methylazetidine-3-carboxylic acid
SMILESC[C@@H]1NC[C@H]1C(=O)O
InChIInChI=1S/C5H9NO2/c1-3-4(2-6-3)5(7)8/h3-4,6H,2H2,1H3,(H,7,8)/t3-,4+/m0/s1
InChIKeyFOHVBSWLQDUYRK-IUYQGCFVSA-N
MW115.13 g/mol
LogP-0.32
Rot. Bonds1

About (2S,3R)-2-methylazetidine-3-carboxylic acid

(2S,3R)-2-methylazetidine-3-carboxylic acid (PubChem CID 124580692) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is (2S,3R)-2-methylazetidine-3-carboxylic acid.

Molecular Properties

Compound Name(2S,3R)-2-methylazetidine-3-carboxylic acid
PubChem CID124580692
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name(2S,3R)-2-methylazetidine-3-carboxylic acid
SMILESC[C@@H]1NC[C@H]1C(=O)O
InChIInChI=1S/C5H9NO2/c1-3-4(2-6-3)5(7)8/h3-4,6H,2H2,1H3,(H,7,8)/t3-,4+/m0/s1
InChIKeyFOHVBSWLQDUYRK-IUYQGCFVSA-N
XLogP-0.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methylazetidine-3-carboxylic acid
CID 21293290
(3R)-4-hydroxy-5-methylpyrrolidine-3-carboxylic acid
CID 18660153
2-methyl-5-propan-2-ylpiperidine-3-carboxylic acid
CID 83915224
(2R,3R)-2-methylpyrrolidine-3-carboxylic acid
CID 10887930
methyl 2-methylazetidine-3-carboxylate;hydrochloride
CID 118796246
5-[(dimethylamino)methyl]-2-methylpiperidine-3-carboxylic acid
CID 83916104
(3R,5S,6S)-5,6-dimethylpiperidine-3-carboxylic acid
CID 178194412
(2S,4S,5R)-piperidine-2,4,5-tricarboxylic acid
CID 10822635
(3S)-4-methylpiperidine-3-carboxylic acid
CID 67216948
3-methylazetidine-2-carboxylic acid
CID 22326246
(3R,4S)-3-methylpiperidine-4-carboxylic acid;hydrochloride
CID 126970561
4-acetylpyrrolidine-3-carboxylic acid
CID 5141364

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-methylazetidine-3-carboxylic acid?
The IUPAC name of (2S,3R)-2-methylazetidine-3-carboxylic acid (CID 124580692) is (2S,3R)-2-methylazetidine-3-carboxylic acid.
What is the SMILES notation for (2S,3R)-2-methylazetidine-3-carboxylic acid?
The canonical SMILES for (2S,3R)-2-methylazetidine-3-carboxylic acid is C[C@@H]1NC[C@H]1C(=O)O.
What is the InChIKey of (2S,3R)-2-methylazetidine-3-carboxylic acid?
The InChIKey is FOHVBSWLQDUYRK-IUYQGCFVSA-N. The full InChI is InChI=1S/C5H9NO2/c1-3-4(2-6-3)5(7)8/h3-4,6H,2H2,1H3,(H,7,8)/t3-,4+/m0/s1.
What are the key properties of (2S,3R)-2-methylazetidine-3-carboxylic acid?
(2S,3R)-2-methylazetidine-3-carboxylic acid has a molecular weight of 115.13 g/mol, XLogP of -0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-methylazetidine-3-carboxylic acid is sourced from PubChem (CID 124580692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).