2-[[(3R)-3-(2-methoxyphenoxy)-3-phenylpropyl]-methylamino]acetic acid

C19H23NO4 — CID 101120687

IUPAC2-[[(3R)-3-(2-methoxyphenoxy)-3-phenylpropyl]-methylamino]acetic acid
SMILESCOc1ccccc1O[C@H](CCN(C)CC(=O)O)c1ccccc1
InChIInChI=1S/C19H23NO4/c1-20(14-19(21)22)13-12-16(15-8-4-3-5-9-15)24-18-11-7-6-10-17(18)23-2/h3-11,16H,12-14H2,1-2H3,(H,21,22)/t16-/m1/s1
InChIKeyVEYFJRLIRRUIHU-MRXNPFEDSA-N
MW329.40 g/mol
LogP3.22
Rot. Bonds9

About 2-[[(3R)-3-(2-methoxyphenoxy)-3-phenylpropyl]-methylamino]acetic acid

2-[[(3R)-3-(2-methoxyphenoxy)-3-phenylpropyl]-methylamino]acetic acid (PubChem CID 101120687) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-[[(3R)-3-(2-methoxyphenoxy)-3-phenylpropyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[(3R)-3-(2-methoxyphenoxy)-3-phenylpropyl]-methylamino]acetic acid
PubChem CID101120687
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name2-[[(3R)-3-(2-methoxyphenoxy)-3-phenylpropyl]-methylamino]acetic acid
SMILESCOc1ccccc1O[C@H](CCN(C)CC(=O)O)c1ccccc1
InChIInChI=1S/C19H23NO4/c1-20(14-19(21)22)13-12-16(15-8-4-3-5-9-15)24-18-11-7-6-10-17(18)23-2/h3-11,16H,12-14H2,1-2H3,(H,21,22)/t16-/m1/s1
InChIKeyVEYFJRLIRRUIHU-MRXNPFEDSA-N
XLogP3.22
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(3R)-3-(2-methoxyphenoxy)-3-phenylpropyl]-N-methylcarbamate
CID 142700885
2-[[3-[4-(1,1-difluoroethyl)phenoxy]-3-phenylpropyl]-methylamino]acetic acid
CID 21301133
2-[methyl-[3-phenyl-3-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propyl]amino]acetic acid
CID 22679172
potassium (3R)-N-benzyl-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine
CID 15980198
sodium (3R)-N-benzyl-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine
CID 15980199
2-[[3-(4-fluorophenyl)-3-(4-methyl-3-phenoxyphenoxy)propyl]-methylamino]acetic acid
CID 22679241
2-[4-[(1R)-3-(dimethylamino)-1-phenylpropoxy]-3-methoxyphenyl]-2-hydroxy-1-phenylethanone
CID 121407741
2-[methyl-[3-phenyl-3-[3-[3-(trifluoromethyl)benzoyl]phenoxy]propyl]amino]acetic acid
CID 18677910
N-methyl-N-[(3R)-3-(2-methylphenoxy)-3-phenylpropyl]acetamide
CID 124636638
[3-[2-(2-hydroxyethyl)phenoxy]-3-phenylpropyl]-methylcarbamic acid
CID 138687817
1-methoxy-2-[(1R)-2-methoxy-1-phenylethoxy]benzene
CID 139888612
hydron;3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine;chloride
CID 74765078

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-3-(2-methoxyphenoxy)-3-phenylpropyl]-methylamino]acetic acid?
The IUPAC name of 2-[[(3R)-3-(2-methoxyphenoxy)-3-phenylpropyl]-methylamino]acetic acid (CID 101120687) is 2-[[(3R)-3-(2-methoxyphenoxy)-3-phenylpropyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[(3R)-3-(2-methoxyphenoxy)-3-phenylpropyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[(3R)-3-(2-methoxyphenoxy)-3-phenylpropyl]-methylamino]acetic acid is COc1ccccc1O[C@H](CCN(C)CC(=O)O)c1ccccc1.
What is the InChIKey of 2-[[(3R)-3-(2-methoxyphenoxy)-3-phenylpropyl]-methylamino]acetic acid?
The InChIKey is VEYFJRLIRRUIHU-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H23NO4/c1-20(14-19(21)22)13-12-16(15-8-4-3-5-9-15)24-18-11-7-6-10-17(18)23-2/h3-11,16H,12-14H2,1-2H3,(H,21,22)/t16-/m1/s1.
What are the key properties of 2-[[(3R)-3-(2-methoxyphenoxy)-3-phenylpropyl]-methylamino]acetic acid?
2-[[(3R)-3-(2-methoxyphenoxy)-3-phenylpropyl]-methylamino]acetic acid has a molecular weight of 329.40 g/mol, XLogP of 3.22, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-3-(2-methoxyphenoxy)-3-phenylpropyl]-methylamino]acetic acid is sourced from PubChem (CID 101120687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).