(2R)-2-(2,5-dimethylphenyl)-2-[2-methoxyethyl(methyl)amino]acetic acid

C14H21NO3 — CID 97190981

IUPAC(2R)-2-(2,5-dimethylphenyl)-2-[2-methoxyethyl(methyl)amino]acetic acid
SMILESCOCCN(C)[C@@H](C(=O)O)c1cc(C)ccc1C
InChIInChI=1S/C14H21NO3/c1-10-5-6-11(2)12(9-10)13(14(16)17)15(3)7-8-18-4/h5-6,9,13H,7-8H2,1-4H3,(H,16,17)/t13-/m1/s1
InChIKeyIAAJKZQYBGDCPU-CYBMUJFWSA-N
MW251.33 g/mol
LogP2.01
Rot. Bonds6

About (2R)-2-(2,5-dimethylphenyl)-2-[2-methoxyethyl(methyl)amino]acetic acid

(2R)-2-(2,5-dimethylphenyl)-2-[2-methoxyethyl(methyl)amino]acetic acid (PubChem CID 97190981) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is (2R)-2-(2,5-dimethylphenyl)-2-[2-methoxyethyl(methyl)amino]acetic acid.

Molecular Properties

Compound Name(2R)-2-(2,5-dimethylphenyl)-2-[2-methoxyethyl(methyl)amino]acetic acid
PubChem CID97190981
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name(2R)-2-(2,5-dimethylphenyl)-2-[2-methoxyethyl(methyl)amino]acetic acid
SMILESCOCCN(C)[C@@H](C(=O)O)c1cc(C)ccc1C
InChIInChI=1S/C14H21NO3/c1-10-5-6-11(2)12(9-10)13(14(16)17)15(3)7-8-18-4/h5-6,9,13H,7-8H2,1-4H3,(H,16,17)/t13-/m1/s1
InChIKeyIAAJKZQYBGDCPU-CYBMUJFWSA-N
XLogP2.01
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylphenyl)-2-[2-methoxyethyl(methyl)amino]propan-1-one
CID 61427717
2-(2-methoxy-5-methylphenyl)-2-[methyl(2-phenylethyl)amino]acetic acid
CID 50973820
2-[[4-[(dimethylamino)methyl]phenyl]methyl-methylamino]-2-(2-methoxy-5-methylphenyl)acetic acid
CID 47000517
2-[2-methoxyethyl(methyl)amino]-1-(4-methylphenyl)propan-1-one
CID 61427109
2-(2,5-dimethylphenyl)-2-(2-hydroxyethoxy)acetic acid
CID 103377595
1-(2,5-dimethylphenyl)-2-[2-(2-methoxyethoxy)ethoxy]ethanol
CID 104564698
(2S)-2-[2-methoxyethyl(methyl)amino]-2-(6-methoxy-3-pyridinyl)acetic acid
CID 97211103
2-[butyl(ethyl)amino]-2-(2-hydroxy-5-methylphenyl)acetic acid
CID 84748642
2-[(2,5-dimethylbenzoyl)amino]-5-methoxypentanoic acid
CID 81076484
methyl (2S)-2-(2,5-difluorophenyl)-2-[2-methoxyethyl(methyl)amino]acetate
CID 95258293
2-[dimethylamino-(2,5-dimethylphenyl)methyl]-3-methylbutanoic acid
CID 116913158
2-[bis(2-methoxyethyl)amino]-5-methylbenzoic acid
CID 54593533

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,5-dimethylphenyl)-2-[2-methoxyethyl(methyl)amino]acetic acid?
The IUPAC name of (2R)-2-(2,5-dimethylphenyl)-2-[2-methoxyethyl(methyl)amino]acetic acid (CID 97190981) is (2R)-2-(2,5-dimethylphenyl)-2-[2-methoxyethyl(methyl)amino]acetic acid.
What is the SMILES notation for (2R)-2-(2,5-dimethylphenyl)-2-[2-methoxyethyl(methyl)amino]acetic acid?
The canonical SMILES for (2R)-2-(2,5-dimethylphenyl)-2-[2-methoxyethyl(methyl)amino]acetic acid is COCCN(C)[C@@H](C(=O)O)c1cc(C)ccc1C.
What is the InChIKey of (2R)-2-(2,5-dimethylphenyl)-2-[2-methoxyethyl(methyl)amino]acetic acid?
The InChIKey is IAAJKZQYBGDCPU-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10-5-6-11(2)12(9-10)13(14(16)17)15(3)7-8-18-4/h5-6,9,13H,7-8H2,1-4H3,(H,16,17)/t13-/m1/s1.
What are the key properties of (2R)-2-(2,5-dimethylphenyl)-2-[2-methoxyethyl(methyl)amino]acetic acid?
(2R)-2-(2,5-dimethylphenyl)-2-[2-methoxyethyl(methyl)amino]acetic acid has a molecular weight of 251.33 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,5-dimethylphenyl)-2-[2-methoxyethyl(methyl)amino]acetic acid is sourced from PubChem (CID 97190981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).