4-[methyl(3-phenylpropyl)amino]oxolane-3-carboxylic acid

C15H21NO3 — CID 66235785

IUPAC4-[methyl(3-phenylpropyl)amino]oxolane-3-carboxylic acid
SMILESCN(CCCc1ccccc1)C1COCC1C(=O)O
InChIInChI=1S/C15H21NO3/c1-16(14-11-19-10-13(14)15(17)18)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,13-14H,5,8-11H2,1H3,(H,17,18)
InChIKeyIQFWVBLHJVOECN-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.65
Rot. Bonds6

About 4-[methyl(3-phenylpropyl)amino]oxolane-3-carboxylic acid

4-[methyl(3-phenylpropyl)amino]oxolane-3-carboxylic acid (PubChem CID 66235785) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-[methyl(3-phenylpropyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[methyl(3-phenylpropyl)amino]oxolane-3-carboxylic acid
PubChem CID66235785
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name4-[methyl(3-phenylpropyl)amino]oxolane-3-carboxylic acid
SMILESCN(CCCc1ccccc1)C1COCC1C(=O)O
InChIInChI=1S/C15H21NO3/c1-16(14-11-19-10-13(14)15(17)18)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,13-14H,5,8-11H2,1H3,(H,17,18)
InChIKeyIQFWVBLHJVOECN-UHFFFAOYSA-N
XLogP1.65
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[methyl(3-methylsulfonylpropyl)amino]oxolane-3-carboxylic acid
CID 66236203
4-[(2,2-difluoro-2-phenylethyl)-methylamino]oxolane-3-carboxylic acid
CID 116789972
4-[(2-bromophenyl)methyl-methylamino]oxolane-3-carboxylic acid
CID 66237808
4-[(2-chlorophenyl)methyl-methylamino]oxolane-3-carboxylic acid
CID 66237823
4-[furan-2-carbonyl(methyl)amino]oxolane-3-carboxylic acid
CID 66237142
4-[methyl(2-propoxyethyl)amino]oxolane-3-carboxylic acid
CID 106454746
4-[ethyl(2-pyridin-2-ylethyl)amino]oxolane-3-carboxylic acid
CID 66245310
4-[(4-cyclopropylphenyl)methyl-methylamino]oxolane-3-carboxylic acid
CID 79977911
4-[3,4-dihydro-2H-chromen-4-ylmethyl(methyl)amino]oxolane-3-carboxylic acid
CID 104768941
4-[3-(4-aminophenyl)propanoyl-methylamino]oxolane-3-carboxylic acid
CID 115341532
4-[methyl-[3-(2-methylphenyl)propanoyl]amino]oxolane-3-carboxylic acid
CID 66235536
4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]oxolane-3-carboxylic acid
CID 66267848

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(3-phenylpropyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[methyl(3-phenylpropyl)amino]oxolane-3-carboxylic acid (CID 66235785) is 4-[methyl(3-phenylpropyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[methyl(3-phenylpropyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[methyl(3-phenylpropyl)amino]oxolane-3-carboxylic acid is CN(CCCc1ccccc1)C1COCC1C(=O)O.
What is the InChIKey of 4-[methyl(3-phenylpropyl)amino]oxolane-3-carboxylic acid?
The InChIKey is IQFWVBLHJVOECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-16(14-11-19-10-13(14)15(17)18)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,13-14H,5,8-11H2,1H3,(H,17,18).
What are the key properties of 4-[methyl(3-phenylpropyl)amino]oxolane-3-carboxylic acid?
4-[methyl(3-phenylpropyl)amino]oxolane-3-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(3-phenylpropyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66235785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).