[(2R)-1-amino-1-oxopropan-2-yl] 2-ethoxybenzoate

C12H15NO4 — CID 8606844

IUPAC[(2R)-1-amino-1-oxopropan-2-yl] 2-ethoxybenzoate
SMILESCCOc1ccccc1C(=O)O[C@H](C)C(N)=O
InChIInChI=1S/C12H15NO4/c1-3-16-10-7-5-4-6-9(10)12(15)17-8(2)11(13)14/h4-8H,3H2,1-2H3,(H2,13,14)/t8-/m1/s1
InChIKeyDSUJRUHVQFEYEE-MRVPVSSYSA-N
MW237.25 g/mol
LogP1.12
Rot. Bonds5

About [(2R)-1-amino-1-oxopropan-2-yl] 2-ethoxybenzoate

[(2R)-1-amino-1-oxopropan-2-yl] 2-ethoxybenzoate (PubChem CID 8606844) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is [(2R)-1-amino-1-oxopropan-2-yl] 2-ethoxybenzoate.

Molecular Properties

Compound Name[(2R)-1-amino-1-oxopropan-2-yl] 2-ethoxybenzoate
PubChem CID8606844
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name[(2R)-1-amino-1-oxopropan-2-yl] 2-ethoxybenzoate
SMILESCCOc1ccccc1C(=O)O[C@H](C)C(N)=O
InChIInChI=1S/C12H15NO4/c1-3-16-10-7-5-4-6-9(10)12(15)17-8(2)11(13)14/h4-8H,3H2,1-2H3,(H2,13,14)/t8-/m1/s1
InChIKeyDSUJRUHVQFEYEE-MRVPVSSYSA-N
XLogP1.12
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 2498474
(1-amino-1-oxopropan-2-yl) 3-amino-2-ethoxybenzoate
CID 113386665
2-ethoxybenzenecarboperoxoic acid
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[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-ethoxybenzoate
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(1-amino-1-oxopropan-2-yl) 2-aminobenzoate
CID 60625431
2-O-(1-amino-1-oxopropan-2-yl) 1-O-methyl benzene-1,2-dicarboxylate
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1-(2-ethoxyphenyl)-2-methylpropan-1-one
CID 62800406
ethyl 5-[2-(2-ethoxybenzoyl)oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 16523866
[(2R)-1-amino-1-oxopropan-2-yl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
CID 8732115
[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 2-ethoxybenzoate
CID 8607141
[(2R)-1-[2-[(2R)-butan-2-yl]anilino]-1-oxopropan-2-yl] 2-ethoxybenzoate
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(1-amino-1-oxopropan-2-yl) 3,4,5-triethoxybenzoate
CID 6914992

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-amino-1-oxopropan-2-yl] 2-ethoxybenzoate?
The IUPAC name of [(2R)-1-amino-1-oxopropan-2-yl] 2-ethoxybenzoate (CID 8606844) is [(2R)-1-amino-1-oxopropan-2-yl] 2-ethoxybenzoate.
What is the SMILES notation for [(2R)-1-amino-1-oxopropan-2-yl] 2-ethoxybenzoate?
The canonical SMILES for [(2R)-1-amino-1-oxopropan-2-yl] 2-ethoxybenzoate is CCOc1ccccc1C(=O)O[C@H](C)C(N)=O.
What is the InChIKey of [(2R)-1-amino-1-oxopropan-2-yl] 2-ethoxybenzoate?
The InChIKey is DSUJRUHVQFEYEE-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-3-16-10-7-5-4-6-9(10)12(15)17-8(2)11(13)14/h4-8H,3H2,1-2H3,(H2,13,14)/t8-/m1/s1.
What are the key properties of [(2R)-1-amino-1-oxopropan-2-yl] 2-ethoxybenzoate?
[(2R)-1-amino-1-oxopropan-2-yl] 2-ethoxybenzoate has a molecular weight of 237.25 g/mol, XLogP of 1.12, 5 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] 2-ethoxybenzoate is sourced from PubChem (CID 8606844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).