2-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclopropane-1-carboxylic acid

C12H21NO3 — CID 115221620

IUPAC2-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESCN(CC1CCOCC1)CC1CC1C(=O)O
InChIInChI=1S/C12H21NO3/c1-13(7-9-2-4-16-5-3-9)8-10-6-11(10)12(14)15/h9-11H,2-8H2,1H3,(H,14,15)
InChIKeyDCULVWPCMQUSFK-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.07
Rot. Bonds5

About 2-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclopropane-1-carboxylic acid

2-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 115221620) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 2-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclopropane-1-carboxylic acid
PubChem CID115221620
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name2-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESCN(CC1CCOCC1)CC1CC1C(=O)O
InChIInChI=1S/C12H21NO3/c1-13(7-9-2-4-16-5-3-9)8-10-6-11(10)12(14)15/h9-11H,2-8H2,1H3,(H,14,15)
InChIKeyDCULVWPCMQUSFK-UHFFFAOYSA-N
XLogP1.07
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-[methyl(oxan-4-ylmethyl)amino]cyclohexane-1-carboxylic acid
CID 63705687
2-[[2,2-dimethylpropyl(methyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115221565
2-methyl-1-[methyl(oxan-4-ylmethyl)carbamoyl]piperidine-4-carboxylic acid
CID 106744317
2,2-dimethyl-6-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclohexan-1-ol
CID 79848513
2-(methylamino)-3-[methyl(oxan-4-ylmethyl)amino]propanoic acid
CID 63711106
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
N-(bromomethyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 115262142
N-methyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 115213705
1-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 63712173
5-[[methyl(oxan-4-ylmethyl)amino]methyl]oxolane-2-carbohydrazide
CID 55227615
cis-(1R,3S)-2,2-dimethyl-3-[methyl(oxan-4-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 114092348

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclopropane-1-carboxylic acid (CID 115221620) is 2-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclopropane-1-carboxylic acid is CN(CC1CCOCC1)CC1CC1C(=O)O.
What is the InChIKey of 2-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is DCULVWPCMQUSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-13(7-9-2-4-16-5-3-9)8-10-6-11(10)12(14)15/h9-11H,2-8H2,1H3,(H,14,15).
What are the key properties of 2-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclopropane-1-carboxylic acid?
2-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 227.30 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115221620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).