3-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-hydroxypropanoic acid

C11H11Cl2NO4 — CID 66166034

IUPAC3-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-hydroxypropanoic acid
SMILESO=C(Cc1c(Cl)cccc1Cl)NCC(O)C(=O)O
InChIInChI=1S/C11H11Cl2NO4/c12-7-2-1-3-8(13)6(7)4-10(16)14-5-9(15)11(17)18/h1-3,9,15H,4-5H2,(H,14,16)(H,17,18)
InChIKeyZBCWBYXCLZNLHE-UHFFFAOYSA-N
MW292.12 g/mol
LogP1.10
Rot. Bonds5

About 3-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-hydroxypropanoic acid

3-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-hydroxypropanoic acid (PubChem CID 66166034) has the molecular formula C11H11Cl2NO4 and a molecular weight of 292.12 g/mol. Its IUPAC name is 3-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-hydroxypropanoic acid
PubChem CID66166034
Molecular FormulaC11H11Cl2NO4
Molecular Weight292.12 g/mol
Exact Mass291.01
IUPAC Name3-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-hydroxypropanoic acid
SMILESO=C(Cc1c(Cl)cccc1Cl)NCC(O)C(=O)O
InChIInChI=1S/C11H11Cl2NO4/c12-7-2-1-3-8(13)6(7)4-10(16)14-5-9(15)11(17)18/h1-3,9,15H,4-5H2,(H,14,16)(H,17,18)
InChIKeyZBCWBYXCLZNLHE-UHFFFAOYSA-N
XLogP1.10
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-hydroxypropanoic acid
CID 114006523
2-(2,6-dichlorophenyl)-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride
CID 120653936
2-(2,6-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 103686301
2-(2-chloro-6-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)acetamide
CID 43391266
2-(2-chloro-6-fluorophenyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide
CID 113258587
(2S)-2-hydroxy-3-[[2-(4-hydroxyphenyl)acetyl]amino]propanoic acid
CID 107833634
N-[(2-chlorophenyl)methyl]-2-(2,6-dichlorophenyl)acetamide
CID 2679601
N-(2-chloroprop-2-enyl)-2-(2,6-dichlorophenyl)acetamide
CID 115636770
3-[[2-(2,6-dichlorophenyl)acetyl]amino]butanoic acid
CID 43092444
2-(2-chloro-6-fluorophenyl)-N-[(2R)-2-hydroxy-3-phenylpropyl]acetamide
CID 98622782
3-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-methoxypropanoic acid
CID 114144294
2-(2,6-dichlorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)acetamide
CID 110880574

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-hydroxypropanoic acid?
The IUPAC name of 3-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-hydroxypropanoic acid (CID 66166034) is 3-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-hydroxypropanoic acid.
What is the SMILES notation for 3-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-hydroxypropanoic acid?
The canonical SMILES for 3-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-hydroxypropanoic acid is O=C(Cc1c(Cl)cccc1Cl)NCC(O)C(=O)O.
What is the InChIKey of 3-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-hydroxypropanoic acid?
The InChIKey is ZBCWBYXCLZNLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO4/c12-7-2-1-3-8(13)6(7)4-10(16)14-5-9(15)11(17)18/h1-3,9,15H,4-5H2,(H,14,16)(H,17,18).
What are the key properties of 3-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-hydroxypropanoic acid?
3-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-hydroxypropanoic acid has a molecular weight of 292.12 g/mol, XLogP of 1.10, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-hydroxypropanoic acid is sourced from PubChem (CID 66166034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).