3-[[(4-propylphenyl)methylamino]methyl]oxetane-3-carboxylic acid

C15H21NO3 — CID 115248420

IUPAC3-[[(4-propylphenyl)methylamino]methyl]oxetane-3-carboxylic acid
SMILESCCCc1ccc(CNCC2(C(=O)O)COC2)cc1
InChIInChI=1S/C15H21NO3/c1-2-3-12-4-6-13(7-5-12)8-16-9-15(14(17)18)10-19-11-15/h4-7,16H,2-3,8-11H2,1H3,(H,17,18)
InChIKeyYLRKCPFVPDVQKK-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.83
Rot. Bonds7

About 3-[[(4-propylphenyl)methylamino]methyl]oxetane-3-carboxylic acid

3-[[(4-propylphenyl)methylamino]methyl]oxetane-3-carboxylic acid (PubChem CID 115248420) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[[(4-propylphenyl)methylamino]methyl]oxetane-3-carboxylic acid.

Molecular Properties

Compound Name3-[[(4-propylphenyl)methylamino]methyl]oxetane-3-carboxylic acid
PubChem CID115248420
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name3-[[(4-propylphenyl)methylamino]methyl]oxetane-3-carboxylic acid
SMILESCCCc1ccc(CNCC2(C(=O)O)COC2)cc1
InChIInChI=1S/C15H21NO3/c1-2-3-12-4-6-13(7-5-12)8-16-9-15(14(17)18)10-19-11-15/h4-7,16H,2-3,8-11H2,1H3,(H,17,18)
InChIKeyYLRKCPFVPDVQKK-UHFFFAOYSA-N
XLogP1.83
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(4-bromophenyl)methylamino]methyl]oxetane-3-carboxylic acid
CID 115248411
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(4-propylphenyl)methanamine
CID 115249403
3-[[(4-methoxy-3-methylphenyl)methylamino]methyl]oxetane-3-carboxylic acid
CID 115248414
[3-(hydroxymethyl)oxetan-3-yl]-(4-propylphenyl)methanone
CID 116922560
3-[[(2,4,6-trimethylphenyl)methylamino]methyl]oxetane-3-carboxylic acid
CID 115248425
N-[[4-(4-propylphenyl)phenyl]methyl]ethanamine
CID 63424945
3-[(1H-pyrrol-2-ylmethylamino)methyl]oxetane-3-carboxylic acid
CID 115248431
1-(hydroxymethyl)-N-[(4-propylphenyl)methyl]cyclobutane-1-carboxamide
CID 115184056
3-[[2-(5-bromothiophen-2-yl)ethylamino]methyl]oxetane-3-carboxylic acid
CID 115248512
N-[[4-(2-phenylethyl)phenyl]methyl]ethanamine
CID 70892466
2,2-dimethyl-3-[(4-propylphenyl)methylamino]propanoic acid
CID 115136546
3-[(1H-indol-3-ylmethylamino)methyl]oxetane-3-carboxylic acid
CID 115248430

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-propylphenyl)methylamino]methyl]oxetane-3-carboxylic acid?
The IUPAC name of 3-[[(4-propylphenyl)methylamino]methyl]oxetane-3-carboxylic acid (CID 115248420) is 3-[[(4-propylphenyl)methylamino]methyl]oxetane-3-carboxylic acid.
What is the SMILES notation for 3-[[(4-propylphenyl)methylamino]methyl]oxetane-3-carboxylic acid?
The canonical SMILES for 3-[[(4-propylphenyl)methylamino]methyl]oxetane-3-carboxylic acid is CCCc1ccc(CNCC2(C(=O)O)COC2)cc1.
What is the InChIKey of 3-[[(4-propylphenyl)methylamino]methyl]oxetane-3-carboxylic acid?
The InChIKey is YLRKCPFVPDVQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-3-12-4-6-13(7-5-12)8-16-9-15(14(17)18)10-19-11-15/h4-7,16H,2-3,8-11H2,1H3,(H,17,18).
What are the key properties of 3-[[(4-propylphenyl)methylamino]methyl]oxetane-3-carboxylic acid?
3-[[(4-propylphenyl)methylamino]methyl]oxetane-3-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-propylphenyl)methylamino]methyl]oxetane-3-carboxylic acid is sourced from PubChem (CID 115248420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).