3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]oxetane-3-carboxylic acid

C12H22N2O3 — CID 115248496

IUPAC3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]oxetane-3-carboxylic acid
SMILESCN1CCC(CN(C)CC2(C(=O)O)COC2)C1
InChIInChI=1S/C12H22N2O3/c1-13-4-3-10(5-13)6-14(2)7-12(11(15)16)8-17-9-12/h10H,3-9H2,1-2H3,(H,15,16)
InChIKeyABQPXLRBDJVNDF-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.03
Rot. Bonds5

About 3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]oxetane-3-carboxylic acid

3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]oxetane-3-carboxylic acid (PubChem CID 115248496) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]oxetane-3-carboxylic acid.

Molecular Properties

Compound Name3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]oxetane-3-carboxylic acid
PubChem CID115248496
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]oxetane-3-carboxylic acid
SMILESCN1CCC(CN(C)CC2(C(=O)O)COC2)C1
InChIInChI=1S/C12H22N2O3/c1-13-4-3-10(5-13)6-14(2)7-12(11(15)16)8-17-9-12/h10H,3-9H2,1-2H3,(H,15,16)
InChIKeyABQPXLRBDJVNDF-UHFFFAOYSA-N
XLogP-0.03
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxetane-3-carboxylic acid
CID 115248494
methyl 1-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]cyclopropane-1-carboxylate
CID 115247638
2-[methyl-[[(3S)-1-methylpyrrolidin-3-yl]methyl]amino]acetic acid
CID 96639224
[3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]oxan-3-yl]methanol
CID 63745746
1-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-2-one
CID 63273547
1-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]cyclopropan-1-amine
CID 65460030
1-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 63275214
2-[1-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclopropyl]acetic acid
CID 65498240
1-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 63711312
1-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115246585
1-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 63712173
1-[(1-methylpiperidin-4-yl)methyl]cyclopropane-1-carboxylic acid
CID 116928821

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]oxetane-3-carboxylic acid?
The IUPAC name of 3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]oxetane-3-carboxylic acid (CID 115248496) is 3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]oxetane-3-carboxylic acid.
What is the SMILES notation for 3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]oxetane-3-carboxylic acid?
The canonical SMILES for 3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]oxetane-3-carboxylic acid is CN1CCC(CN(C)CC2(C(=O)O)COC2)C1.
What is the InChIKey of 3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]oxetane-3-carboxylic acid?
The InChIKey is ABQPXLRBDJVNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-13-4-3-10(5-13)6-14(2)7-12(11(15)16)8-17-9-12/h10H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]oxetane-3-carboxylic acid?
3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]oxetane-3-carboxylic acid has a molecular weight of 242.32 g/mol, XLogP of -0.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]oxetane-3-carboxylic acid is sourced from PubChem (CID 115248496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).