3-(methylamino)azetidine-3-carboxylic acid

C5H10N2O2 — CID 21083711

IUPAC3-(methylamino)azetidine-3-carboxylic acid
SMILESCNC1(C(=O)O)CNC1
InChIInChI=1S/C5H10N2O2/c1-6-5(4(8)9)2-7-3-5/h6-7H,2-3H2,1H3,(H,8,9)
InChIKeyVONCPYKSTPCDRK-UHFFFAOYSA-N
MW130.15 g/mol
LogP-1.37
Rot. Bonds2

About 3-(methylamino)azetidine-3-carboxylic acid

3-(methylamino)azetidine-3-carboxylic acid (PubChem CID 21083711) has the molecular formula C5H10N2O2 and a molecular weight of 130.15 g/mol. Its IUPAC name is 3-(methylamino)azetidine-3-carboxylic acid.

Molecular Properties

Compound Name3-(methylamino)azetidine-3-carboxylic acid
PubChem CID21083711
Molecular FormulaC5H10N2O2
Molecular Weight130.15 g/mol
Exact Mass130.07
IUPAC Name3-(methylamino)azetidine-3-carboxylic acid
SMILESCNC1(C(=O)O)CNC1
InChIInChI=1S/C5H10N2O2/c1-6-5(4(8)9)2-7-3-5/h6-7H,2-3H2,1H3,(H,8,9)
InChIKeyVONCPYKSTPCDRK-UHFFFAOYSA-N
XLogP-1.37
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 5-1.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)azetidine-3-carboxylic acid?
The IUPAC name of 3-(methylamino)azetidine-3-carboxylic acid (CID 21083711) is 3-(methylamino)azetidine-3-carboxylic acid.
What is the SMILES notation for 3-(methylamino)azetidine-3-carboxylic acid?
The canonical SMILES for 3-(methylamino)azetidine-3-carboxylic acid is CNC1(C(=O)O)CNC1.
What is the InChIKey of 3-(methylamino)azetidine-3-carboxylic acid?
The InChIKey is VONCPYKSTPCDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2/c1-6-5(4(8)9)2-7-3-5/h6-7H,2-3H2,1H3,(H,8,9).
What are the key properties of 3-(methylamino)azetidine-3-carboxylic acid?
3-(methylamino)azetidine-3-carboxylic acid has a molecular weight of 130.15 g/mol, XLogP of -1.37, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)azetidine-3-carboxylic acid is sourced from PubChem (CID 21083711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).