3-[1-(methylamino)propyl]oxetane-3-carboxylic acid

C8H15NO3 — CID 116959327

IUPAC3-[1-(methylamino)propyl]oxetane-3-carboxylic acid
SMILESCCC(NC)C1(C(=O)O)COC1
InChIInChI=1S/C8H15NO3/c1-3-6(9-2)8(7(10)11)4-12-5-8/h6,9H,3-5H2,1-2H3,(H,10,11)
InChIKeyACWWNSCPRCPHFD-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.09
Rot. Bonds4

About 3-[1-(methylamino)propyl]oxetane-3-carboxylic acid

3-[1-(methylamino)propyl]oxetane-3-carboxylic acid (PubChem CID 116959327) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 3-[1-(methylamino)propyl]oxetane-3-carboxylic acid.

Molecular Properties

Compound Name3-[1-(methylamino)propyl]oxetane-3-carboxylic acid
PubChem CID116959327
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name3-[1-(methylamino)propyl]oxetane-3-carboxylic acid
SMILESCCC(NC)C1(C(=O)O)COC1
InChIInChI=1S/C8H15NO3/c1-3-6(9-2)8(7(10)11)4-12-5-8/h6,9H,3-5H2,1-2H3,(H,10,11)
InChIKeyACWWNSCPRCPHFD-UHFFFAOYSA-N
XLogP0.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-methyl-1-(methylamino)propyl]oxetane-3-carboxylic acid
CID 116959331
3-[cyclopentyl(methylamino)methyl]oxetane-3-carboxylic acid
CID 116959386
3-[methylamino-(1-methylpiperidin-4-yl)methyl]oxetane-3-carboxylic acid
CID 116959390
3-[methylamino(oxan-4-yl)methyl]oxetane-3-carboxylic acid
CID 116959388
3-pentan-3-yloxane-3-carboxylic acid
CID 103743922
3-(1-amino-2,2-dimethylpropyl)oxetane-3-carboxylic acid
CID 116944579
3-[(2,5-difluorophenyl)-(methylamino)methyl]oxetane-3-carboxylic acid
CID 116959359
3-[(5-bromo-2-methylphenyl)-(methylamino)methyl]oxetane-3-carboxylic acid
CID 116959372
3-[(2-methoxy-5-methylphenyl)-(methylamino)methyl]oxetane-3-carboxylic acid
CID 116959346
3-(1-hydroxypropan-2-yl)oxane-3-carboxylic acid
CID 130502968
3-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]oxetane-3-carboxylic acid
CID 116959348
1-[methylamino(oxan-4-yl)methyl]cyclopropane-1-carboxylic acid
CID 116958211

Frequently Asked Questions

What is the IUPAC name of 3-[1-(methylamino)propyl]oxetane-3-carboxylic acid?
The IUPAC name of 3-[1-(methylamino)propyl]oxetane-3-carboxylic acid (CID 116959327) is 3-[1-(methylamino)propyl]oxetane-3-carboxylic acid.
What is the SMILES notation for 3-[1-(methylamino)propyl]oxetane-3-carboxylic acid?
The canonical SMILES for 3-[1-(methylamino)propyl]oxetane-3-carboxylic acid is CCC(NC)C1(C(=O)O)COC1.
What is the InChIKey of 3-[1-(methylamino)propyl]oxetane-3-carboxylic acid?
The InChIKey is ACWWNSCPRCPHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-3-6(9-2)8(7(10)11)4-12-5-8/h6,9H,3-5H2,1-2H3,(H,10,11).
What are the key properties of 3-[1-(methylamino)propyl]oxetane-3-carboxylic acid?
3-[1-(methylamino)propyl]oxetane-3-carboxylic acid has a molecular weight of 173.21 g/mol, XLogP of 0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(methylamino)propyl]oxetane-3-carboxylic acid is sourced from PubChem (CID 116959327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).