3-[methylamino(oxan-4-yl)methyl]oxetane-3-carboxylic acid

C11H19NO4 — CID 116959388

IUPAC3-[methylamino(oxan-4-yl)methyl]oxetane-3-carboxylic acid
SMILESCNC(C1CCOCC1)C1(C(=O)O)COC1
InChIInChI=1S/C11H19NO4/c1-12-9(8-2-4-15-5-3-8)11(10(13)14)6-16-7-11/h8-9,12H,2-7H2,1H3,(H,13,14)
InChIKeyPWSATUQUAAFEID-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.10
Rot. Bonds4

About 3-[methylamino(oxan-4-yl)methyl]oxetane-3-carboxylic acid

3-[methylamino(oxan-4-yl)methyl]oxetane-3-carboxylic acid (PubChem CID 116959388) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-[methylamino(oxan-4-yl)methyl]oxetane-3-carboxylic acid.

Molecular Properties

Compound Name3-[methylamino(oxan-4-yl)methyl]oxetane-3-carboxylic acid
PubChem CID116959388
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name3-[methylamino(oxan-4-yl)methyl]oxetane-3-carboxylic acid
SMILESCNC(C1CCOCC1)C1(C(=O)O)COC1
InChIInChI=1S/C11H19NO4/c1-12-9(8-2-4-15-5-3-8)11(10(13)14)6-16-7-11/h8-9,12H,2-7H2,1H3,(H,13,14)
InChIKeyPWSATUQUAAFEID-UHFFFAOYSA-N
XLogP0.10
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[methylamino(oxan-4-yl)methyl]cyclopropane-1-carboxylic acid
CID 116958211
3-[cyclopentyl(methylamino)methyl]oxetane-3-carboxylic acid
CID 116959386
3-[methylamino-(1-methylpiperidin-4-yl)methyl]oxetane-3-carboxylic acid
CID 116959390
1-[cyclopentyl(methylamino)methyl]cyclopropane-1-carboxylic acid
CID 116958209
1-[methylamino-(1-methylpiperidin-4-yl)methyl]cyclobutane-1-carboxylic acid
CID 116958981
2-(methylamino)-2-[3-(oxan-4-yl)oxetan-3-yl]acetic acid
CID 116875690
3-[2-methyl-1-(methylamino)propyl]oxetane-3-carboxylic acid
CID 116959331
3-[1-(methylamino)propyl]oxetane-3-carboxylic acid
CID 116959327
2-amino-3-(methylamino)-3-(oxan-4-yl)propanoic acid
CID 116957433
1-[1-(aminomethyl)cyclopropyl]-N-methyl-1-(oxan-4-yl)methanamine
CID 116958494
3-[2-(oxan-4-yl)propanoylamino]oxolane-3-carboxylic acid
CID 120688768
1-(1-methoxycyclopentyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 104610994

Frequently Asked Questions

What is the IUPAC name of 3-[methylamino(oxan-4-yl)methyl]oxetane-3-carboxylic acid?
The IUPAC name of 3-[methylamino(oxan-4-yl)methyl]oxetane-3-carboxylic acid (CID 116959388) is 3-[methylamino(oxan-4-yl)methyl]oxetane-3-carboxylic acid.
What is the SMILES notation for 3-[methylamino(oxan-4-yl)methyl]oxetane-3-carboxylic acid?
The canonical SMILES for 3-[methylamino(oxan-4-yl)methyl]oxetane-3-carboxylic acid is CNC(C1CCOCC1)C1(C(=O)O)COC1.
What is the InChIKey of 3-[methylamino(oxan-4-yl)methyl]oxetane-3-carboxylic acid?
The InChIKey is PWSATUQUAAFEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-12-9(8-2-4-15-5-3-8)11(10(13)14)6-16-7-11/h8-9,12H,2-7H2,1H3,(H,13,14).
What are the key properties of 3-[methylamino(oxan-4-yl)methyl]oxetane-3-carboxylic acid?
3-[methylamino(oxan-4-yl)methyl]oxetane-3-carboxylic acid has a molecular weight of 229.28 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methylamino(oxan-4-yl)methyl]oxetane-3-carboxylic acid is sourced from PubChem (CID 116959388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).