[(2S)-1-amino-1-oxopropan-2-yl] 2,4-dichlorobenzoate

C10H9Cl2NO3 — CID 7508328

IUPAC[(2S)-1-amino-1-oxopropan-2-yl] 2,4-dichlorobenzoate
SMILESC[C@H](OC(=O)c1ccc(Cl)cc1Cl)C(N)=O
InChIInChI=1S/C10H9Cl2NO3/c1-5(9(13)14)16-10(15)7-3-2-6(11)4-8(7)12/h2-5H,1H3,(H2,13,14)/t5-/m0/s1
InChIKeyDVESQPKPJSUWPG-YFKPBYRVSA-N
MW262.09 g/mol
LogP2.02
Rot. Bonds3

About [(2S)-1-amino-1-oxopropan-2-yl] 2,4-dichlorobenzoate

[(2S)-1-amino-1-oxopropan-2-yl] 2,4-dichlorobenzoate (PubChem CID 7508328) has the molecular formula C10H9Cl2NO3 and a molecular weight of 262.09 g/mol. Its IUPAC name is [(2S)-1-amino-1-oxopropan-2-yl] 2,4-dichlorobenzoate.

Molecular Properties

Compound Name[(2S)-1-amino-1-oxopropan-2-yl] 2,4-dichlorobenzoate
PubChem CID7508328
Molecular FormulaC10H9Cl2NO3
Molecular Weight262.09 g/mol
Exact Mass261.00
IUPAC Name[(2S)-1-amino-1-oxopropan-2-yl] 2,4-dichlorobenzoate
SMILESC[C@H](OC(=O)c1ccc(Cl)cc1Cl)C(N)=O
InChIInChI=1S/C10H9Cl2NO3/c1-5(9(13)14)16-10(15)7-3-2-6(11)4-8(7)12/h2-5H,1H3,(H2,13,14)/t5-/m0/s1
InChIKeyDVESQPKPJSUWPG-YFKPBYRVSA-N
XLogP2.02
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.09
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(2S)-1-amino-1-oxopropan-2-yl] 2,4-dichlorobenzoate with MolForge

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Related Compounds

[(2R)-1-amino-1-oxopropan-2-yl] 2-chloro-4-fluorobenzoate
CID 2570251
[bis[(2,4-dichlorobenzoyl)oxy]methoxy-(2,4-dichlorobenzoyl)oxymethyl] 2,4-dichlorobenzoate
CID 57177466
[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2,4-dichlorobenzoate
CID 7873069
[(2S)-1-amino-1-oxopropan-2-yl] 2-chloro-5-methylsulfanylbenzoate
CID 2103450
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2,4-dichlorobenzoate
CID 7862951
(1-amino-1-oxopropan-2-yl) 2-chloro-5-sulfamoylbenzoate
CID 22108582
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2,4-dichlorobenzoate
CID 7508224
[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 2,4-dichlorobenzoate
CID 55319792
[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 2,4-dichlorobenzoate
CID 7873087
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2,4-dichlorobenzoate
CID 2628202
[(2S)-1-amino-1-oxopropan-2-yl] 2-hydroxy-4-methylbenzoate
CID 7568080
[1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-amino-4-chlorobenzoate
CID 5003205

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-amino-1-oxopropan-2-yl] 2,4-dichlorobenzoate?
The IUPAC name of [(2S)-1-amino-1-oxopropan-2-yl] 2,4-dichlorobenzoate (CID 7508328) is [(2S)-1-amino-1-oxopropan-2-yl] 2,4-dichlorobenzoate.
What is the SMILES notation for [(2S)-1-amino-1-oxopropan-2-yl] 2,4-dichlorobenzoate?
The canonical SMILES for [(2S)-1-amino-1-oxopropan-2-yl] 2,4-dichlorobenzoate is C[C@H](OC(=O)c1ccc(Cl)cc1Cl)C(N)=O.
What is the InChIKey of [(2S)-1-amino-1-oxopropan-2-yl] 2,4-dichlorobenzoate?
The InChIKey is DVESQPKPJSUWPG-YFKPBYRVSA-N. The full InChI is InChI=1S/C10H9Cl2NO3/c1-5(9(13)14)16-10(15)7-3-2-6(11)4-8(7)12/h2-5H,1H3,(H2,13,14)/t5-/m0/s1.
What are the key properties of [(2S)-1-amino-1-oxopropan-2-yl] 2,4-dichlorobenzoate?
[(2S)-1-amino-1-oxopropan-2-yl] 2,4-dichlorobenzoate has a molecular weight of 262.09 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-amino-1-oxopropan-2-yl] 2,4-dichlorobenzoate is sourced from PubChem (CID 7508328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).