(2R,4R)-4-methylazetidine-2-carboxylic acid

C5H9NO2 — CID 138039816

IUPAC(2R,4R)-4-methylazetidine-2-carboxylic acid
SMILESC[C@@H]1C[C@H](C(=O)O)N1
InChIInChI=1S/C5H9NO2/c1-3-2-4(6-3)5(7)8/h3-4,6H,2H2,1H3,(H,7,8)/t3-,4-/m1/s1
InChIKeyHJNCIIYYAHQDGZ-QWWZWVQMSA-N
MW115.13 g/mol
LogP-0.18
Rot. Bonds1

About (2R,4R)-4-methylazetidine-2-carboxylic acid

(2R,4R)-4-methylazetidine-2-carboxylic acid (PubChem CID 138039816) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is (2R,4R)-4-methylazetidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-4-methylazetidine-2-carboxylic acid
PubChem CID138039816
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name(2R,4R)-4-methylazetidine-2-carboxylic acid
SMILESC[C@@H]1C[C@H](C(=O)O)N1
InChIInChI=1S/C5H9NO2/c1-3-2-4(6-3)5(7)8/h3-4,6H,2H2,1H3,(H,7,8)/t3-,4-/m1/s1
InChIKeyHJNCIIYYAHQDGZ-QWWZWVQMSA-N
XLogP-0.18
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 ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-methylazetidine-2-carboxylic acid?
The IUPAC name of (2R,4R)-4-methylazetidine-2-carboxylic acid (CID 138039816) is (2R,4R)-4-methylazetidine-2-carboxylic acid.
What is the SMILES notation for (2R,4R)-4-methylazetidine-2-carboxylic acid?
The canonical SMILES for (2R,4R)-4-methylazetidine-2-carboxylic acid is C[C@@H]1C[C@H](C(=O)O)N1.
What is the InChIKey of (2R,4R)-4-methylazetidine-2-carboxylic acid?
The InChIKey is HJNCIIYYAHQDGZ-QWWZWVQMSA-N. The full InChI is InChI=1S/C5H9NO2/c1-3-2-4(6-3)5(7)8/h3-4,6H,2H2,1H3,(H,7,8)/t3-,4-/m1/s1.
What are the key properties of (2R,4R)-4-methylazetidine-2-carboxylic acid?
(2R,4R)-4-methylazetidine-2-carboxylic acid has a molecular weight of 115.13 g/mol, XLogP of -0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-methylazetidine-2-carboxylic acid is sourced from PubChem (CID 138039816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).