(2R)-2-acetamido-3-(3-phenoxyphenyl)propanoic acid

C17H17NO4 — CID 124585346

IUPAC(2R)-2-acetamido-3-(3-phenoxyphenyl)propanoic acid
SMILESCC(=O)N[C@H](Cc1cccc(Oc2ccccc2)c1)C(=O)O
InChIInChI=1S/C17H17NO4/c1-12(19)18-16(17(20)21)11-13-6-5-9-15(10-13)22-14-7-3-2-4-8-14/h2-10,16H,11H2,1H3,(H,18,19)(H,20,21)/t16-/m1/s1
InChIKeyVKGDWHDFBDCAKP-MRXNPFEDSA-N
MW299.33 g/mol
LogP2.61
Rot. Bonds6

About (2R)-2-acetamido-3-(3-phenoxyphenyl)propanoic acid

(2R)-2-acetamido-3-(3-phenoxyphenyl)propanoic acid (PubChem CID 124585346) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is (2R)-2-acetamido-3-(3-phenoxyphenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-acetamido-3-(3-phenoxyphenyl)propanoic acid
PubChem CID124585346
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name(2R)-2-acetamido-3-(3-phenoxyphenyl)propanoic acid
SMILESCC(=O)N[C@H](Cc1cccc(Oc2ccccc2)c1)C(=O)O
InChIInChI=1S/C17H17NO4/c1-12(19)18-16(17(20)21)11-13-6-5-9-15(10-13)22-14-7-3-2-4-8-14/h2-10,16H,11H2,1H3,(H,18,19)(H,20,21)/t16-/m1/s1
InChIKeyVKGDWHDFBDCAKP-MRXNPFEDSA-N
XLogP2.61
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-acetamido-N-methylsulfonyl-3-(3-phenoxyphenyl)propanamide
CID 167756831
2-acetamido-3-(3-hexoxyphenyl)propanoic acid
CID 54846799
(2S)-2-[(3-phenoxyphenyl)methylamino]-3-phenylpropanoic acid
CID 99796479
(2S)-2-acetamido-3-(3-acetylphenyl)propanoic acid
CID 167735603
2-[[2-(3-phenoxyphenyl)acetyl]amino]propanoic acid
CID 162228691
(2S)-2-[(2-acetamido-3-phenylpropanoyl)amino]-3-phenylpropanoic acid
CID 13265658
(2S)-2-acetamido-3-[3-(dimethylamino)phenyl]propanoic acid
CID 67532341
(2S)-2-acetamido-3-(3-hydroxyphenyl)propanoic acid;methyl (2R)-2-acetamido-3-(3-hydroxyphenyl)propanoate;methyl 2-acetamido-3-(3-hydroxyphenyl)propanoate
CID 159179016
(2S)-2-acetamido-3-[3-[3-[(2S)-2-[[(2S)-2-aminopentanoyl]amino]-3-oxo-3-(2,2,2-trifluoroethylamino)propyl]phenoxy]phenyl]propanoic acid
CID 138550019
ethyl 2-acetamido-3-[3-(3,5-diiodo-4-methoxyphenoxy)phenyl]propanoate
CID 141467529
2-[[3-[2-(dibenzylamino)ethoxy]benzoyl]amino]-3-(3-phenoxyphenyl)propanoic acid
CID 66912967
2-acetamido-3-[(3-methoxyphenyl)methoxy]propanoic acid
CID 65443170

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-3-(3-phenoxyphenyl)propanoic acid?
The IUPAC name of (2R)-2-acetamido-3-(3-phenoxyphenyl)propanoic acid (CID 124585346) is (2R)-2-acetamido-3-(3-phenoxyphenyl)propanoic acid.
What is the SMILES notation for (2R)-2-acetamido-3-(3-phenoxyphenyl)propanoic acid?
The canonical SMILES for (2R)-2-acetamido-3-(3-phenoxyphenyl)propanoic acid is CC(=O)N[C@H](Cc1cccc(Oc2ccccc2)c1)C(=O)O.
What is the InChIKey of (2R)-2-acetamido-3-(3-phenoxyphenyl)propanoic acid?
The InChIKey is VKGDWHDFBDCAKP-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H17NO4/c1-12(19)18-16(17(20)21)11-13-6-5-9-15(10-13)22-14-7-3-2-4-8-14/h2-10,16H,11H2,1H3,(H,18,19)(H,20,21)/t16-/m1/s1.
What are the key properties of (2R)-2-acetamido-3-(3-phenoxyphenyl)propanoic acid?
(2R)-2-acetamido-3-(3-phenoxyphenyl)propanoic acid has a molecular weight of 299.33 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-3-(3-phenoxyphenyl)propanoic acid is sourced from PubChem (CID 124585346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).