2-amino-3-(2,3-dichlorophenyl)-2-methyl-3-oxopropanoic acid

C10H9Cl2NO3 — CID 68607874

IUPAC2-amino-3-(2,3-dichlorophenyl)-2-methyl-3-oxopropanoic acid
SMILESCC(N)(C(=O)O)C(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C10H9Cl2NO3/c1-10(13,9(15)16)8(14)5-3-2-4-6(11)7(5)12/h2-4H,13H2,1H3,(H,15,16)
InChIKeyUZHSTFWPFGZEED-UHFFFAOYSA-N
MW262.09 g/mol
LogP1.98
Rot. Bonds3

About 2-amino-3-(2,3-dichlorophenyl)-2-methyl-3-oxopropanoic acid

2-amino-3-(2,3-dichlorophenyl)-2-methyl-3-oxopropanoic acid (PubChem CID 68607874) has the molecular formula C10H9Cl2NO3 and a molecular weight of 262.09 g/mol. Its IUPAC name is 2-amino-3-(2,3-dichlorophenyl)-2-methyl-3-oxopropanoic acid.

Molecular Properties

Compound Name2-amino-3-(2,3-dichlorophenyl)-2-methyl-3-oxopropanoic acid
PubChem CID68607874
Molecular FormulaC10H9Cl2NO3
Molecular Weight262.09 g/mol
Exact Mass261.00
IUPAC Name2-amino-3-(2,3-dichlorophenyl)-2-methyl-3-oxopropanoic acid
SMILESCC(N)(C(=O)O)C(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C10H9Cl2NO3/c1-10(13,9(15)16)8(14)5-3-2-4-6(11)7(5)12/h2-4H,13H2,1H3,(H,15,16)
InChIKeyUZHSTFWPFGZEED-UHFFFAOYSA-N
XLogP1.98
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.09
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-(2,3-difluorophenyl)-2-methyl-3-oxopropanoic acid
CID 68606169
2-amino-1-(2-chlorophenyl)-2-methylpropan-1-one
CID 82282086
N-tert-butyl-2,3-dichlorobenzamide
CID 60643074
2,3-dichlorobenzamide;hydron
CID 69226563
1-(2,3-dichlorophenyl)-2,2,3,3,4,4,5,5,5-nonafluoropentan-1-one
CID 146009488
(2S)-2-[(2,3-dichlorobenzoyl)amino]-3,3-dimethylbutanoic acid
CID 61145041
1-(2,3-dichlorophenyl)propan-1-one
CID 22173184
2,3-dichloro-N-sulfanyloxybenzamide
CID 173416374
(Z)-4-(2,3-dichlorophenyl)-4-hydroxybut-3-en-2-one
CID 58913668
4-(2,3-dichlorophenyl)-4-hydroxybut-3-en-2-one
CID 69381328
(2,3-dichlorobenzoyl) 2,3-dichlorobenzoate
CID 20714991
1,2-bis(2-chlorophenyl)ethane-1,2-dione;1-(2,3-dichlorophenyl)-2-phenylethane-1,2-dione
CID 69255292

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,3-dichlorophenyl)-2-methyl-3-oxopropanoic acid?
The IUPAC name of 2-amino-3-(2,3-dichlorophenyl)-2-methyl-3-oxopropanoic acid (CID 68607874) is 2-amino-3-(2,3-dichlorophenyl)-2-methyl-3-oxopropanoic acid.
What is the SMILES notation for 2-amino-3-(2,3-dichlorophenyl)-2-methyl-3-oxopropanoic acid?
The canonical SMILES for 2-amino-3-(2,3-dichlorophenyl)-2-methyl-3-oxopropanoic acid is CC(N)(C(=O)O)C(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of 2-amino-3-(2,3-dichlorophenyl)-2-methyl-3-oxopropanoic acid?
The InChIKey is UZHSTFWPFGZEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO3/c1-10(13,9(15)16)8(14)5-3-2-4-6(11)7(5)12/h2-4H,13H2,1H3,(H,15,16).
What are the key properties of 2-amino-3-(2,3-dichlorophenyl)-2-methyl-3-oxopropanoic acid?
2-amino-3-(2,3-dichlorophenyl)-2-methyl-3-oxopropanoic acid has a molecular weight of 262.09 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2,3-dichlorophenyl)-2-methyl-3-oxopropanoic acid is sourced from PubChem (CID 68607874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).