3-[2-methyl-1-(methylamino)propyl]oxetane-3-carboxylic acid

C9H17NO3 — CID 116959331

IUPAC3-[2-methyl-1-(methylamino)propyl]oxetane-3-carboxylic acid
SMILESCNC(C(C)C)C1(C(=O)O)COC1
InChIInChI=1S/C9H17NO3/c1-6(2)7(10-3)9(8(11)12)4-13-5-9/h6-7,10H,4-5H2,1-3H3,(H,11,12)
InChIKeyMUNXVRUVASHFLY-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.33
Rot. Bonds4

About 3-[2-methyl-1-(methylamino)propyl]oxetane-3-carboxylic acid

3-[2-methyl-1-(methylamino)propyl]oxetane-3-carboxylic acid (PubChem CID 116959331) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 3-[2-methyl-1-(methylamino)propyl]oxetane-3-carboxylic acid.

Molecular Properties

Compound Name3-[2-methyl-1-(methylamino)propyl]oxetane-3-carboxylic acid
PubChem CID116959331
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name3-[2-methyl-1-(methylamino)propyl]oxetane-3-carboxylic acid
SMILESCNC(C(C)C)C1(C(=O)O)COC1
InChIInChI=1S/C9H17NO3/c1-6(2)7(10-3)9(8(11)12)4-13-5-9/h6-7,10H,4-5H2,1-3H3,(H,11,12)
InChIKeyMUNXVRUVASHFLY-UHFFFAOYSA-N
XLogP0.33
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(methylamino)propyl]oxetane-3-carboxylic acid
CID 116959327
3-[cyclopentyl(methylamino)methyl]oxetane-3-carboxylic acid
CID 116959386
3-[methylamino(oxan-4-yl)methyl]oxetane-3-carboxylic acid
CID 116959388
3-(1-amino-2,2-dimethylpropyl)oxetane-3-carboxylic acid
CID 116944579
3-[methylamino-(1-methylpiperidin-4-yl)methyl]oxetane-3-carboxylic acid
CID 116959390
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
1-[(1S)-1-hydroxyethyl]cyclopropane-1-carboxylic acid
CID 129375020
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
2-(1,5,6-trimethyl-3-oxabicyclo[3.1.0]hexan-6-yl)propanoic acid
CID 123164557

Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-1-(methylamino)propyl]oxetane-3-carboxylic acid?
The IUPAC name of 3-[2-methyl-1-(methylamino)propyl]oxetane-3-carboxylic acid (CID 116959331) is 3-[2-methyl-1-(methylamino)propyl]oxetane-3-carboxylic acid.
What is the SMILES notation for 3-[2-methyl-1-(methylamino)propyl]oxetane-3-carboxylic acid?
The canonical SMILES for 3-[2-methyl-1-(methylamino)propyl]oxetane-3-carboxylic acid is CNC(C(C)C)C1(C(=O)O)COC1.
What is the InChIKey of 3-[2-methyl-1-(methylamino)propyl]oxetane-3-carboxylic acid?
The InChIKey is MUNXVRUVASHFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-6(2)7(10-3)9(8(11)12)4-13-5-9/h6-7,10H,4-5H2,1-3H3,(H,11,12).
What are the key properties of 3-[2-methyl-1-(methylamino)propyl]oxetane-3-carboxylic acid?
3-[2-methyl-1-(methylamino)propyl]oxetane-3-carboxylic acid has a molecular weight of 187.24 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-1-(methylamino)propyl]oxetane-3-carboxylic acid is sourced from PubChem (CID 116959331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).