(2R)-3-methyl-2-[[2-[4-(4-methylphenyl)phenoxy]acetyl]amino]butanoic acid

C20H23NO4 — CID 9157303

IUPAC(2R)-3-methyl-2-[[2-[4-(4-methylphenyl)phenoxy]acetyl]amino]butanoic acid
SMILESCc1ccc(-c2ccc(OCC(=O)N[C@@H](C(=O)O)C(C)C)cc2)cc1
InChIInChI=1S/C20H23NO4/c1-13(2)19(20(23)24)21-18(22)12-25-17-10-8-16(9-11-17)15-6-4-14(3)5-7-15/h4-11,13,19H,12H2,1-3H3,(H,21,22)(H,23,24)/t19-/m1/s1
InChIKeyUFNNCGZHWNHYDS-LJQANCHMSA-N
MW341.41 g/mol
LogP3.27
Rot. Bonds7

About (2R)-3-methyl-2-[[2-[4-(4-methylphenyl)phenoxy]acetyl]amino]butanoic acid

(2R)-3-methyl-2-[[2-[4-(4-methylphenyl)phenoxy]acetyl]amino]butanoic acid (PubChem CID 9157303) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is (2R)-3-methyl-2-[[2-[4-(4-methylphenyl)phenoxy]acetyl]amino]butanoic acid.

Molecular Properties

Compound Name(2R)-3-methyl-2-[[2-[4-(4-methylphenyl)phenoxy]acetyl]amino]butanoic acid
PubChem CID9157303
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name(2R)-3-methyl-2-[[2-[4-(4-methylphenyl)phenoxy]acetyl]amino]butanoic acid
SMILESCc1ccc(-c2ccc(OCC(=O)N[C@@H](C(=O)O)C(C)C)cc2)cc1
InChIInChI=1S/C20H23NO4/c1-13(2)19(20(23)24)21-18(22)12-25-17-10-8-16(9-11-17)15-6-4-14(3)5-7-15/h4-11,13,19H,12H2,1-3H3,(H,21,22)(H,23,24)/t19-/m1/s1
InChIKeyUFNNCGZHWNHYDS-LJQANCHMSA-N
XLogP3.27
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[2-(4-chlorophenoxy)acetyl]amino]-3-methylbutanoic acid
CID 9157390
3-methyl-2-[[2-(4-phenoxyphenoxy)acetyl]amino]butanoic acid
CID 3630383
(2S)-2-[[2-(4-benzoylphenoxy)acetyl]amino]-3-methylbutanoic acid
CID 119359613
(2R)-3-methyl-2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]butanoic acid
CID 119368130
(2R)-3-methyl-2-[[2-(4-propylphenoxy)acetyl]amino]butanoic acid
CID 9157214
(2S)-2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-3-methylbutanoic acid
CID 9157150
2-[[2-(4-ethylphenoxy)acetyl]amino]-3-methylpentanoic acid
CID 43239975
N-(1,3-dihydroxypropan-2-yl)-2-(4-methylphenoxy)acetamide
CID 65312489
2-[[2-(3-bromophenoxy)acetyl]amino]-3-methylbutanoic acid
CID 3530351
2-(4-methylphenoxy)-N-[2-[[2-(4-methylphenoxy)acetyl]amino]propyl]acetamide
CID 2899982
3-methyl-2-[1-(4-methylphenoxy)propan-2-ylamino]butanoic acid
CID 103242905
6-amino-2-[[2-(4-methylphenoxy)acetyl]amino]hexanoic acid
CID 171619167

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-[[2-[4-(4-methylphenyl)phenoxy]acetyl]amino]butanoic acid?
The IUPAC name of (2R)-3-methyl-2-[[2-[4-(4-methylphenyl)phenoxy]acetyl]amino]butanoic acid (CID 9157303) is (2R)-3-methyl-2-[[2-[4-(4-methylphenyl)phenoxy]acetyl]amino]butanoic acid.
What is the SMILES notation for (2R)-3-methyl-2-[[2-[4-(4-methylphenyl)phenoxy]acetyl]amino]butanoic acid?
The canonical SMILES for (2R)-3-methyl-2-[[2-[4-(4-methylphenyl)phenoxy]acetyl]amino]butanoic acid is Cc1ccc(-c2ccc(OCC(=O)N[C@@H](C(=O)O)C(C)C)cc2)cc1.
What is the InChIKey of (2R)-3-methyl-2-[[2-[4-(4-methylphenyl)phenoxy]acetyl]amino]butanoic acid?
The InChIKey is UFNNCGZHWNHYDS-LJQANCHMSA-N. The full InChI is InChI=1S/C20H23NO4/c1-13(2)19(20(23)24)21-18(22)12-25-17-10-8-16(9-11-17)15-6-4-14(3)5-7-15/h4-11,13,19H,12H2,1-3H3,(H,21,22)(H,23,24)/t19-/m1/s1.
What are the key properties of (2R)-3-methyl-2-[[2-[4-(4-methylphenyl)phenoxy]acetyl]amino]butanoic acid?
(2R)-3-methyl-2-[[2-[4-(4-methylphenyl)phenoxy]acetyl]amino]butanoic acid has a molecular weight of 341.41 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-[[2-[4-(4-methylphenyl)phenoxy]acetyl]amino]butanoic acid is sourced from PubChem (CID 9157303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).