[(2R)-1-amino-1-oxopropan-2-yl] 3,5-dichloro-4-methoxybenzoate

C11H11Cl2NO4 — CID 9126007

IUPAC[(2R)-1-amino-1-oxopropan-2-yl] 3,5-dichloro-4-methoxybenzoate
SMILESCOc1c(Cl)cc(C(=O)O[C@H](C)C(N)=O)cc1Cl
InChIInChI=1S/C11H11Cl2NO4/c1-5(10(14)15)18-11(16)6-3-7(12)9(17-2)8(13)4-6/h3-5H,1-2H3,(H2,14,15)/t5-/m1/s1
InChIKeyAWARFSUXFDZGAX-RXMQYKEDSA-N
MW292.12 g/mol
LogP2.03
Rot. Bonds4

About [(2R)-1-amino-1-oxopropan-2-yl] 3,5-dichloro-4-methoxybenzoate

[(2R)-1-amino-1-oxopropan-2-yl] 3,5-dichloro-4-methoxybenzoate (PubChem CID 9126007) has the molecular formula C11H11Cl2NO4 and a molecular weight of 292.12 g/mol. Its IUPAC name is [(2R)-1-amino-1-oxopropan-2-yl] 3,5-dichloro-4-methoxybenzoate.

Molecular Properties

Compound Name[(2R)-1-amino-1-oxopropan-2-yl] 3,5-dichloro-4-methoxybenzoate
PubChem CID9126007
Molecular FormulaC11H11Cl2NO4
Molecular Weight292.12 g/mol
Exact Mass291.01
IUPAC Name[(2R)-1-amino-1-oxopropan-2-yl] 3,5-dichloro-4-methoxybenzoate
SMILESCOc1c(Cl)cc(C(=O)O[C@H](C)C(N)=O)cc1Cl
InChIInChI=1S/C11H11Cl2NO4/c1-5(10(14)15)18-11(16)6-3-7(12)9(17-2)8(13)4-6/h3-5H,1-2H3,(H2,14,15)/t5-/m1/s1
InChIKeyAWARFSUXFDZGAX-RXMQYKEDSA-N
XLogP2.03
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-amino-1-oxopropan-2-yl] 3-chloro-4,5-dimethoxybenzoate
CID 7362860
[(2S)-1-amino-1-oxopropan-2-yl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate
CID 7711880
[(2R)-1-amino-1-oxopropan-2-yl] 3,4,5-trimethoxybenzoate
CID 2572150
[(2S)-1-amino-1-oxopropan-2-yl] 4-butoxy-3-chloro-5-methoxybenzoate
CID 7952399
(1-amino-1-oxopropan-2-yl) 3-chloro-5-ethoxy-4-propoxybenzoate
CID 6914957
bis(1-amino-1-oxopropan-2-yl) benzene-1,4-dicarboxylate
CID 24671569
[(2R)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 3-chloro-4,5-dimethoxybenzoate
CID 8952673
[(2R)-1-amino-1-oxopropan-2-yl] 3,4-dimethoxybenzoate
CID 2592042
[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl] 3,5-dichloro-4-methoxybenzoate
CID 9125888
[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 3-chloro-4,5-dimethoxybenzoate
CID 7681312
(1-amino-1-oxopropan-2-yl) 3,4,5-triethoxybenzoate
CID 6914992
[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl] 3-chloro-4,5-dimethoxybenzoate
CID 8952647

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-amino-1-oxopropan-2-yl] 3,5-dichloro-4-methoxybenzoate?
The IUPAC name of [(2R)-1-amino-1-oxopropan-2-yl] 3,5-dichloro-4-methoxybenzoate (CID 9126007) is [(2R)-1-amino-1-oxopropan-2-yl] 3,5-dichloro-4-methoxybenzoate.
What is the SMILES notation for [(2R)-1-amino-1-oxopropan-2-yl] 3,5-dichloro-4-methoxybenzoate?
The canonical SMILES for [(2R)-1-amino-1-oxopropan-2-yl] 3,5-dichloro-4-methoxybenzoate is COc1c(Cl)cc(C(=O)O[C@H](C)C(N)=O)cc1Cl.
What is the InChIKey of [(2R)-1-amino-1-oxopropan-2-yl] 3,5-dichloro-4-methoxybenzoate?
The InChIKey is AWARFSUXFDZGAX-RXMQYKEDSA-N. The full InChI is InChI=1S/C11H11Cl2NO4/c1-5(10(14)15)18-11(16)6-3-7(12)9(17-2)8(13)4-6/h3-5H,1-2H3,(H2,14,15)/t5-/m1/s1.
What are the key properties of [(2R)-1-amino-1-oxopropan-2-yl] 3,5-dichloro-4-methoxybenzoate?
[(2R)-1-amino-1-oxopropan-2-yl] 3,5-dichloro-4-methoxybenzoate has a molecular weight of 292.12 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-amino-1-oxopropan-2-yl] 3,5-dichloro-4-methoxybenzoate is sourced from PubChem (CID 9126007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).