(3R)-3-(4-methylphenyl)-3-[(2-phenoxyacetyl)amino]propanoic acid

C18H19NO4 — CID 9429721

IUPAC(3R)-3-(4-methylphenyl)-3-[(2-phenoxyacetyl)amino]propanoic acid
SMILESCc1ccc([C@@H](CC(=O)O)NC(=O)COc2ccccc2)cc1
InChIInChI=1S/C18H19NO4/c1-13-7-9-14(10-8-13)16(11-18(21)22)19-17(20)12-23-15-5-3-2-4-6-15/h2-10,16H,11-12H2,1H3,(H,19,20)(H,21,22)/t16-/m1/s1
InChIKeyKUHUMJZGDGXGBW-MRXNPFEDSA-N
MW313.35 g/mol
LogP2.71
Rot. Bonds7

About (3R)-3-(4-methylphenyl)-3-[(2-phenoxyacetyl)amino]propanoic acid

(3R)-3-(4-methylphenyl)-3-[(2-phenoxyacetyl)amino]propanoic acid (PubChem CID 9429721) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is (3R)-3-(4-methylphenyl)-3-[(2-phenoxyacetyl)amino]propanoic acid.

Molecular Properties

Compound Name(3R)-3-(4-methylphenyl)-3-[(2-phenoxyacetyl)amino]propanoic acid
PubChem CID9429721
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name(3R)-3-(4-methylphenyl)-3-[(2-phenoxyacetyl)amino]propanoic acid
SMILESCc1ccc([C@@H](CC(=O)O)NC(=O)COc2ccccc2)cc1
InChIInChI=1S/C18H19NO4/c1-13-7-9-14(10-8-13)16(11-18(21)22)19-17(20)12-23-15-5-3-2-4-6-15/h2-10,16H,11-12H2,1H3,(H,19,20)(H,21,22)/t16-/m1/s1
InChIKeyKUHUMJZGDGXGBW-MRXNPFEDSA-N
XLogP2.71
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(4-methylphenyl)propyl]-2-phenoxyacetamide
CID 27754182
3-[[2-(3-methylphenoxy)acetyl]amino]-3-phenylpropanoic acid
CID 45461281
ethyl (3S)-3-(4-methoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoate
CID 7045143
3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-3-phenylpropanoic acid
CID 45461286
N-[(1R)-2-hydroxy-1-phenylethyl]-2-phenoxyacetamide
CID 39370051
N-[cyclopropyl-(4-methylphenyl)methyl]-2-phenoxyacetamide
CID 51296315
3-[[2-(4-ethoxyphenoxy)acetyl]amino]-3-(4-fluorophenyl)propanoic acid
CID 45431827
N-[[4-(hydroxymethyl)phenyl]-(4-methylphenyl)methyl]-2-phenoxyacetamide
CID 66612389
2-(4-methoxyphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 8910299
3-(4-ethoxyphenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid
CID 3938884
2-(4-ethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 94843764
2-(4-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 9296856

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-methylphenyl)-3-[(2-phenoxyacetyl)amino]propanoic acid?
The IUPAC name of (3R)-3-(4-methylphenyl)-3-[(2-phenoxyacetyl)amino]propanoic acid (CID 9429721) is (3R)-3-(4-methylphenyl)-3-[(2-phenoxyacetyl)amino]propanoic acid.
What is the SMILES notation for (3R)-3-(4-methylphenyl)-3-[(2-phenoxyacetyl)amino]propanoic acid?
The canonical SMILES for (3R)-3-(4-methylphenyl)-3-[(2-phenoxyacetyl)amino]propanoic acid is Cc1ccc([C@@H](CC(=O)O)NC(=O)COc2ccccc2)cc1.
What is the InChIKey of (3R)-3-(4-methylphenyl)-3-[(2-phenoxyacetyl)amino]propanoic acid?
The InChIKey is KUHUMJZGDGXGBW-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H19NO4/c1-13-7-9-14(10-8-13)16(11-18(21)22)19-17(20)12-23-15-5-3-2-4-6-15/h2-10,16H,11-12H2,1H3,(H,19,20)(H,21,22)/t16-/m1/s1.
What are the key properties of (3R)-3-(4-methylphenyl)-3-[(2-phenoxyacetyl)amino]propanoic acid?
(3R)-3-(4-methylphenyl)-3-[(2-phenoxyacetyl)amino]propanoic acid has a molecular weight of 313.35 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-methylphenyl)-3-[(2-phenoxyacetyl)amino]propanoic acid is sourced from PubChem (CID 9429721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).