2-[cyclopropyl(methyl)amino]-2-(2-methoxy-3,5-dimethylphenyl)acetic acid

C15H21NO3 — CID 116857475

IUPAC2-[cyclopropyl(methyl)amino]-2-(2-methoxy-3,5-dimethylphenyl)acetic acid
SMILESCOc1c(C)cc(C)cc1C(C(=O)O)N(C)C1CC1
InChIInChI=1S/C15H21NO3/c1-9-7-10(2)14(19-4)12(8-9)13(15(17)18)16(3)11-5-6-11/h7-8,11,13H,5-6H2,1-4H3,(H,17,18)
InChIKeyWFRVESRWFLQVDJ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.53
Rot. Bonds5

About 2-[cyclopropyl(methyl)amino]-2-(2-methoxy-3,5-dimethylphenyl)acetic acid

2-[cyclopropyl(methyl)amino]-2-(2-methoxy-3,5-dimethylphenyl)acetic acid (PubChem CID 116857475) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[cyclopropyl(methyl)amino]-2-(2-methoxy-3,5-dimethylphenyl)acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl(methyl)amino]-2-(2-methoxy-3,5-dimethylphenyl)acetic acid
PubChem CID116857475
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-[cyclopropyl(methyl)amino]-2-(2-methoxy-3,5-dimethylphenyl)acetic acid
SMILESCOc1c(C)cc(C)cc1C(C(=O)O)N(C)C1CC1
InChIInChI=1S/C15H21NO3/c1-9-7-10(2)14(19-4)12(8-9)13(15(17)18)16(3)11-5-6-11/h7-8,11,13H,5-6H2,1-4H3,(H,17,18)
InChIKeyWFRVESRWFLQVDJ-UHFFFAOYSA-N
XLogP2.53
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(methyl)amino]-2-(2-methoxy-3,5-dimethylphenyl)acetic acid?
The IUPAC name of 2-[cyclopropyl(methyl)amino]-2-(2-methoxy-3,5-dimethylphenyl)acetic acid (CID 116857475) is 2-[cyclopropyl(methyl)amino]-2-(2-methoxy-3,5-dimethylphenyl)acetic acid.
What is the SMILES notation for 2-[cyclopropyl(methyl)amino]-2-(2-methoxy-3,5-dimethylphenyl)acetic acid?
The canonical SMILES for 2-[cyclopropyl(methyl)amino]-2-(2-methoxy-3,5-dimethylphenyl)acetic acid is COc1c(C)cc(C)cc1C(C(=O)O)N(C)C1CC1.
What is the InChIKey of 2-[cyclopropyl(methyl)amino]-2-(2-methoxy-3,5-dimethylphenyl)acetic acid?
The InChIKey is WFRVESRWFLQVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-9-7-10(2)14(19-4)12(8-9)13(15(17)18)16(3)11-5-6-11/h7-8,11,13H,5-6H2,1-4H3,(H,17,18).
What are the key properties of 2-[cyclopropyl(methyl)amino]-2-(2-methoxy-3,5-dimethylphenyl)acetic acid?
2-[cyclopropyl(methyl)amino]-2-(2-methoxy-3,5-dimethylphenyl)acetic acid has a molecular weight of 263.34 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(methyl)amino]-2-(2-methoxy-3,5-dimethylphenyl)acetic acid is sourced from PubChem (CID 116857475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).