2-methylazetidine-2-carboxylic acid

C5H9NO2 — CID 68532073

IUPAC2-methylazetidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCN1
InChIInChI=1S/C5H9NO2/c1-5(4(7)8)2-3-6-5/h6H,2-3H2,1H3,(H,7,8)
InChIKeyADTSDDJGGMQTIE-UHFFFAOYSA-N
MW115.13 g/mol
LogP-0.18
Rot. Bonds1

About 2-methylazetidine-2-carboxylic acid

2-methylazetidine-2-carboxylic acid (PubChem CID 68532073) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is 2-methylazetidine-2-carboxylic acid.

Molecular Properties

Compound Name2-methylazetidine-2-carboxylic acid
PubChem CID68532073
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name2-methylazetidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCN1
InChIInChI=1S/C5H9NO2/c1-5(4(7)8)2-3-6-5/h6H,2-3H2,1H3,(H,7,8)
InChIKeyADTSDDJGGMQTIE-UHFFFAOYSA-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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Related Compounds

2-Azetidinecarboxylic acid, (S)-
CID 16486
Azetidinecarboxylic Acid
CID 17288
2-Azetidinecarboxylic acid, (+)-
CID 637601
4-Methylazetidine-2-carboxylic acid
CID 336073
2-Methylazetidine-2-carboxylic acid hydrochloride
CID 70557228
3-Fluoroazetidine-2-carboxylic acid
CID 21427937
(2R)-2-(Trifluoromethyl)-2-azetidinecarboxylic acid
CID 126970334
rac-(2R,4S)-4-methylazetidine-2-carboxylic acid
CID 138039993
rac-(2R,4S)-4-methylazetidine-2-carboxylic acid hydrochloride
CID 165789990
Azetidine-2-carboxylic acid hydrochloride
CID 45358168
(R)-Azetidine-2-carboxylic acid hydrochloride
CID 68682600
trans-3-Methylazetidine-2-carboxylic acid
CID 54425638

Frequently Asked Questions

What is the IUPAC name of 2-methylazetidine-2-carboxylic acid?
The IUPAC name of 2-methylazetidine-2-carboxylic acid (CID 68532073) is 2-methylazetidine-2-carboxylic acid.
What is the SMILES notation for 2-methylazetidine-2-carboxylic acid?
The canonical SMILES for 2-methylazetidine-2-carboxylic acid is CC1(C(=O)O)CCN1.
What is the InChIKey of 2-methylazetidine-2-carboxylic acid?
The InChIKey is ADTSDDJGGMQTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c1-5(4(7)8)2-3-6-5/h6H,2-3H2,1H3,(H,7,8).
What are the key properties of 2-methylazetidine-2-carboxylic acid?
2-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 2-methylazetidine-2-carboxylic acid is sourced from PubChem (CID 68532073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).