2-(carboxymethyl)azetidine-2-carboxylic acid

C6H9NO4 — CID 141407801

IUPAC2-(carboxymethyl)azetidine-2-carboxylic acid
SMILESO=C(O)CC1(C(=O)O)CCN1
InChIInChI=1S/C6H9NO4/c8-4(9)3-6(5(10)11)1-2-7-6/h7H,1-3H2,(H,8,9)(H,10,11)
InChIKeyPNLYZIZLVWHNQB-UHFFFAOYSA-N
MW159.14 g/mol
LogP-0.72
Rot. Bonds3

About 2-(carboxymethyl)azetidine-2-carboxylic acid

2-(carboxymethyl)azetidine-2-carboxylic acid (PubChem CID 141407801) has the molecular formula C6H9NO4 and a molecular weight of 159.14 g/mol. Its IUPAC name is 2-(carboxymethyl)azetidine-2-carboxylic acid.

Molecular Properties

Compound Name2-(carboxymethyl)azetidine-2-carboxylic acid
PubChem CID141407801
Molecular FormulaC6H9NO4
Molecular Weight159.14 g/mol
Exact Mass159.05
IUPAC Name2-(carboxymethyl)azetidine-2-carboxylic acid
SMILESO=C(O)CC1(C(=O)O)CCN1
InChIInChI=1S/C6H9NO4/c8-4(9)3-6(5(10)11)1-2-7-6/h7H,1-3H2,(H,8,9)(H,10,11)
InChIKeyPNLYZIZLVWHNQB-UHFFFAOYSA-N
XLogP-0.72
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylprop-2-enyl)pyrrolidine-2-carboxylic acid
CID 83080312
(2S)-2-(2-methylsulfanylethyl)azetidine-2-carboxylic acid
CID 131206611
2-(2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid
CID 115103385
(2S)-2-propylpiperidine-2-carboxylic acid
CID 101384273
2-(4-hydroxypiperidin-4-yl)acetic acid
CID 15565781
2-prop-2-ynylpyrrolidine-2-carboxylic acid;hydrochloride
CID 53398204
2-(oxiran-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 11997713
2-(piperidin-1-ylmethyl)pyrrolidine-2-carboxylic acid
CID 117272111
2-(3,3-dimethylbutyl)pyrrolidine-2-carboxylic acid
CID 83080746
2-[(E)-but-2-enyl]pyrrolidine-2-carboxylic acid
CID 115563173
2-(4-aminopiperidin-4-yl)acetic acid
CID 18379201
2-[2-(4-methylphenyl)azetidin-2-yl]acetic acid
CID 115059058

Frequently Asked Questions

What is the IUPAC name of 2-(carboxymethyl)azetidine-2-carboxylic acid?
The IUPAC name of 2-(carboxymethyl)azetidine-2-carboxylic acid (CID 141407801) is 2-(carboxymethyl)azetidine-2-carboxylic acid.
What is the SMILES notation for 2-(carboxymethyl)azetidine-2-carboxylic acid?
The canonical SMILES for 2-(carboxymethyl)azetidine-2-carboxylic acid is O=C(O)CC1(C(=O)O)CCN1.
What is the InChIKey of 2-(carboxymethyl)azetidine-2-carboxylic acid?
The InChIKey is PNLYZIZLVWHNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO4/c8-4(9)3-6(5(10)11)1-2-7-6/h7H,1-3H2,(H,8,9)(H,10,11).
What are the key properties of 2-(carboxymethyl)azetidine-2-carboxylic acid?
2-(carboxymethyl)azetidine-2-carboxylic acid has a molecular weight of 159.14 g/mol, XLogP of -0.72, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carboxymethyl)azetidine-2-carboxylic acid is sourced from PubChem (CID 141407801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).