(2R)-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-phenylpropanoate

C17H14Cl2NO4- — CID 6961899

IUPAC(2R)-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-phenylpropanoate
SMILESO=C(COc1ccc(Cl)cc1Cl)N[C@H](Cc1ccccc1)C(=O)[O-]
InChIInChI=1S/C17H15Cl2NO4/c18-12-6-7-15(13(19)9-12)24-10-16(21)20-14(17(22)23)8-11-4-2-1-3-5-11/h1-7,9,14H,8,10H2,(H,20,21)(H,22,23)/p-1/t14-/m1/s1
InChIKeyYPUCAGJECDDDTR-CQSZACIVSA-M
MW367.21 g/mol
LogP1.85
Rot. Bonds7

About (2R)-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-phenylpropanoate

(2R)-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-phenylpropanoate (PubChem CID 6961899) has the molecular formula C17H14Cl2NO4- and a molecular weight of 367.21 g/mol. Its IUPAC name is (2R)-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-phenylpropanoate.

Molecular Properties

Compound Name(2R)-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-phenylpropanoate
PubChem CID6961899
Molecular FormulaC17H14Cl2NO4-
Molecular Weight367.21 g/mol
Exact Mass366.03
IUPAC Name(2R)-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-phenylpropanoate
SMILESO=C(COc1ccc(Cl)cc1Cl)N[C@H](Cc1ccccc1)C(=O)[O-]
InChIInChI=1S/C17H15Cl2NO4/c18-12-6-7-15(13(19)9-12)24-10-16(21)20-14(17(22)23)8-11-4-2-1-3-5-11/h1-7,9,14H,8,10H2,(H,20,21)(H,22,23)/p-1/t14-/m1/s1
InChIKeyYPUCAGJECDDDTR-CQSZACIVSA-M
XLogP1.85
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.21
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-hydroxypropanoic acid
CID 595733
(2R)-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-sulfanylpropanoic acid
CID 22217276
N-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]-2-phenylacetamide
CID 3372417
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(2,4-dichlorophenoxy)acetamide
CID 7859030
2-(2,4-dichlorophenoxy)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 94223668
2-[[2-(3-methylphenoxy)acetyl]amino]-3-phenylpropanoate
CID 5044252
potassium 2-(2,4-dichlorophenoxy)-N-oxidoacetamide
CID 23697377
2-(2,4-dichlorophenoxy)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 39086752
N-benzyl-3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanamide
CID 60608572
N-[(2S)-1-aminopropan-2-yl]-2-(2,4-dichlorophenoxy)acetamide
CID 120508613
2-[2-(2,4-dichlorophenoxy)propanoylamino]-3-phenylpropanoic acid
CID 3454202
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4-ethylsulfonylbutanoic acid
CID 108755232

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-phenylpropanoate?
The IUPAC name of (2R)-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-phenylpropanoate (CID 6961899) is (2R)-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-phenylpropanoate.
What is the SMILES notation for (2R)-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-phenylpropanoate?
The canonical SMILES for (2R)-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-phenylpropanoate is O=C(COc1ccc(Cl)cc1Cl)N[C@H](Cc1ccccc1)C(=O)[O-].
What is the InChIKey of (2R)-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-phenylpropanoate?
The InChIKey is YPUCAGJECDDDTR-CQSZACIVSA-M. The full InChI is InChI=1S/C17H15Cl2NO4/c18-12-6-7-15(13(19)9-12)24-10-16(21)20-14(17(22)23)8-11-4-2-1-3-5-11/h1-7,9,14H,8,10H2,(H,20,21)(H,22,23)/p-1/t14-/m1/s1.
What are the key properties of (2R)-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-phenylpropanoate?
(2R)-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-phenylpropanoate has a molecular weight of 367.21 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-phenylpropanoate is sourced from PubChem (CID 6961899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).