methyl 2-[[2-(2,4-dichlorophenyl)acetyl]amino]-3-hydroxypropanoate

C12H13Cl2NO4 — CID 43405682

IUPACmethyl 2-[[2-(2,4-dichlorophenyl)acetyl]amino]-3-hydroxypropanoate
SMILESCOC(=O)C(CO)NC(=O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H13Cl2NO4/c1-19-12(18)10(6-16)15-11(17)4-7-2-3-8(13)5-9(7)14/h2-3,5,10,16H,4,6H2,1H3,(H,15,17)
InChIKeyYDADDOCLZACOJS-UHFFFAOYSA-N
MW306.15 g/mol
LogP1.19
Rot. Bonds5

About methyl 2-[[2-(2,4-dichlorophenyl)acetyl]amino]-3-hydroxypropanoate

methyl 2-[[2-(2,4-dichlorophenyl)acetyl]amino]-3-hydroxypropanoate (PubChem CID 43405682) has the molecular formula C12H13Cl2NO4 and a molecular weight of 306.15 g/mol. Its IUPAC name is methyl 2-[[2-(2,4-dichlorophenyl)acetyl]amino]-3-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 2-[[2-(2,4-dichlorophenyl)acetyl]amino]-3-hydroxypropanoate
PubChem CID43405682
Molecular FormulaC12H13Cl2NO4
Molecular Weight306.15 g/mol
Exact Mass305.02
IUPAC Namemethyl 2-[[2-(2,4-dichlorophenyl)acetyl]amino]-3-hydroxypropanoate
SMILESCOC(=O)C(CO)NC(=O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H13Cl2NO4/c1-19-12(18)10(6-16)15-11(17)4-7-2-3-8(13)5-9(7)14/h2-3,5,10,16H,4,6H2,1H3,(H,15,17)
InChIKeyYDADDOCLZACOJS-UHFFFAOYSA-N
XLogP1.19
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dichlorophenyl)-N-(1-hydroxypropan-2-yl)acetamide
CID 43418876
2-(2,4-dichlorophenyl)-N-(4-hydroxy-3-methylbutan-2-yl)acetamide
CID 115734976
methyl (2S)-2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-3-hydroxypropanoate
CID 9277756
(2S)-4-amino-2-[[2-(2,4-dichlorophenyl)acetyl]amino]-4-oxobutanoic acid
CID 61142148
2-[[2-(2,4-dichlorophenyl)acetyl]amino]pentanoic acid
CID 43630804
2-(2,4-dichlorophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
CID 103750934
methyl 2-[(4-chloro-2-hydroxybenzoyl)amino]-3-hydroxypropanoate
CID 43405857
methyl (2S)-2-[[2-(4-chloro-2-methoxyphenyl)acetyl]amino]-4-methylpentanoate
CID 57259362
2-[[2-(2,4-dichlorophenyl)acetyl]amino]-4-sulfanylbutanoic acid
CID 114212535
methyl 2-[[2-(4-chloro-2-methylphenyl)acetyl]amino]propanoate
CID 22104881
methyl 2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]amino]-3-hydroxypropanoate
CID 43407113
methyl 2-[(2,4-dichlorophenyl)methyl]-3-oxobutanoate
CID 138755721

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(2,4-dichlorophenyl)acetyl]amino]-3-hydroxypropanoate?
The IUPAC name of methyl 2-[[2-(2,4-dichlorophenyl)acetyl]amino]-3-hydroxypropanoate (CID 43405682) is methyl 2-[[2-(2,4-dichlorophenyl)acetyl]amino]-3-hydroxypropanoate.
What is the SMILES notation for methyl 2-[[2-(2,4-dichlorophenyl)acetyl]amino]-3-hydroxypropanoate?
The canonical SMILES for methyl 2-[[2-(2,4-dichlorophenyl)acetyl]amino]-3-hydroxypropanoate is COC(=O)C(CO)NC(=O)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of methyl 2-[[2-(2,4-dichlorophenyl)acetyl]amino]-3-hydroxypropanoate?
The InChIKey is YDADDOCLZACOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO4/c1-19-12(18)10(6-16)15-11(17)4-7-2-3-8(13)5-9(7)14/h2-3,5,10,16H,4,6H2,1H3,(H,15,17).
What are the key properties of methyl 2-[[2-(2,4-dichlorophenyl)acetyl]amino]-3-hydroxypropanoate?
methyl 2-[[2-(2,4-dichlorophenyl)acetyl]amino]-3-hydroxypropanoate has a molecular weight of 306.15 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(2,4-dichlorophenyl)acetyl]amino]-3-hydroxypropanoate is sourced from PubChem (CID 43405682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).