4-[(4-cyclopropylphenyl)methyl-methylamino]oxolane-3-carboxylic acid

C16H21NO3 — CID 79977911

IUPAC4-[(4-cyclopropylphenyl)methyl-methylamino]oxolane-3-carboxylic acid
SMILESCN(Cc1ccc(C2CC2)cc1)C1COCC1C(=O)O
InChIInChI=1S/C16H21NO3/c1-17(15-10-20-9-14(15)16(18)19)8-11-2-4-12(5-3-11)13-6-7-13/h2-5,13-15H,6-10H2,1H3,(H,18,19)
InChIKeyJMBDEMHJZSIRCI-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.10
Rot. Bonds5

About 4-[(4-cyclopropylphenyl)methyl-methylamino]oxolane-3-carboxylic acid

4-[(4-cyclopropylphenyl)methyl-methylamino]oxolane-3-carboxylic acid (PubChem CID 79977911) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-[(4-cyclopropylphenyl)methyl-methylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(4-cyclopropylphenyl)methyl-methylamino]oxolane-3-carboxylic acid
PubChem CID79977911
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name4-[(4-cyclopropylphenyl)methyl-methylamino]oxolane-3-carboxylic acid
SMILESCN(Cc1ccc(C2CC2)cc1)C1COCC1C(=O)O
InChIInChI=1S/C16H21NO3/c1-17(15-10-20-9-14(15)16(18)19)8-11-2-4-12(5-3-11)13-6-7-13/h2-5,13-15H,6-10H2,1H3,(H,18,19)
InChIKeyJMBDEMHJZSIRCI-UHFFFAOYSA-N
XLogP2.10
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyclopropylphenyl)methyl-methylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(4-cyclopropylphenyl)methyl-methylamino]oxolane-3-carboxylic acid (CID 79977911) is 4-[(4-cyclopropylphenyl)methyl-methylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(4-cyclopropylphenyl)methyl-methylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(4-cyclopropylphenyl)methyl-methylamino]oxolane-3-carboxylic acid is CN(Cc1ccc(C2CC2)cc1)C1COCC1C(=O)O.
What is the InChIKey of 4-[(4-cyclopropylphenyl)methyl-methylamino]oxolane-3-carboxylic acid?
The InChIKey is JMBDEMHJZSIRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-17(15-10-20-9-14(15)16(18)19)8-11-2-4-12(5-3-11)13-6-7-13/h2-5,13-15H,6-10H2,1H3,(H,18,19).
What are the key properties of 4-[(4-cyclopropylphenyl)methyl-methylamino]oxolane-3-carboxylic acid?
4-[(4-cyclopropylphenyl)methyl-methylamino]oxolane-3-carboxylic acid has a molecular weight of 275.35 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyclopropylphenyl)methyl-methylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 79977911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).