1-(methylamino)-3-(phenylmethoxymethyl)cyclobutane-1-carboxylic acid

C14H19NO3 — CID 58601842

IUPAC1-(methylamino)-3-(phenylmethoxymethyl)cyclobutane-1-carboxylic acid
SMILESCNC1(C(=O)O)CC(COCc2ccccc2)C1
InChIInChI=1S/C14H19NO3/c1-15-14(13(16)17)7-12(8-14)10-18-9-11-5-3-2-4-6-11/h2-6,12,15H,7-10H2,1H3,(H,16,17)
InChIKeyOIIHXUZFROZQCP-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.66
Rot. Bonds6

About 1-(methylamino)-3-(phenylmethoxymethyl)cyclobutane-1-carboxylic acid

1-(methylamino)-3-(phenylmethoxymethyl)cyclobutane-1-carboxylic acid (PubChem CID 58601842) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-(methylamino)-3-(phenylmethoxymethyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(methylamino)-3-(phenylmethoxymethyl)cyclobutane-1-carboxylic acid
PubChem CID58601842
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name1-(methylamino)-3-(phenylmethoxymethyl)cyclobutane-1-carboxylic acid
SMILESCNC1(C(=O)O)CC(COCc2ccccc2)C1
InChIInChI=1S/C14H19NO3/c1-15-14(13(16)17)7-12(8-14)10-18-9-11-5-3-2-4-6-11/h2-6,12,15H,7-10H2,1H3,(H,16,17)
InChIKeyOIIHXUZFROZQCP-UHFFFAOYSA-N
XLogP1.66
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[3-(phenylmethoxymethyl)cyclobutyl]acetate
CID 59252300
[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 100982245
4-(phenylmethoxymethyl)cyclopentane-1,2-diol
CID 12717277
3-benzyl-1-(phenylmethoxycarbonylamino)cyclobutane-1-carboxylic acid
CID 167738824
2-[3-[[1-amino-3-(phenylmethoxymethyl)cyclobutanecarbonyl]amino]phenyl]acetic acid
CID 166380689
methyl (2S,5R)-5-(phenylmethoxymethyl)piperidine-2-carboxylate
CID 159350997
3-chloro-3-methyl-6-(phenylmethoxymethyl)spiro[3.3]heptan-2-one
CID 143443709
3-(phenylmethoxymethyl)cyclobutan-1-one
CID 11819850
2-[3-(phenylmethoxymethyl)cyclobutyl]oxyacetic acid
CID 155437936
methyl 5-(phenylmethoxymethyl)piperidine-2-carboxylate;hydrochloride
CID 171364018
1-ethoxycarbonyl-2-(phenylmethoxymethyl)cyclopropane-1-carboxylic acid
CID 85086376
diethyl (2R)-2-(phenylmethoxymethyl)cyclopropane-1,1-dicarboxylate
CID 10946695

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-3-(phenylmethoxymethyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(methylamino)-3-(phenylmethoxymethyl)cyclobutane-1-carboxylic acid (CID 58601842) is 1-(methylamino)-3-(phenylmethoxymethyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(methylamino)-3-(phenylmethoxymethyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(methylamino)-3-(phenylmethoxymethyl)cyclobutane-1-carboxylic acid is CNC1(C(=O)O)CC(COCc2ccccc2)C1.
What is the InChIKey of 1-(methylamino)-3-(phenylmethoxymethyl)cyclobutane-1-carboxylic acid?
The InChIKey is OIIHXUZFROZQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-15-14(13(16)17)7-12(8-14)10-18-9-11-5-3-2-4-6-11/h2-6,12,15H,7-10H2,1H3,(H,16,17).
What are the key properties of 1-(methylamino)-3-(phenylmethoxymethyl)cyclobutane-1-carboxylic acid?
1-(methylamino)-3-(phenylmethoxymethyl)cyclobutane-1-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-3-(phenylmethoxymethyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 58601842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).