[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-chlorobenzoate

C12H14ClNO3 — CID 9412610

IUPAC[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-chlorobenzoate
SMILESCCNC(=O)[C@@H](C)OC(=O)c1ccccc1Cl
InChIInChI=1S/C12H14ClNO3/c1-3-14-11(15)8(2)17-12(16)9-6-4-5-7-10(9)13/h4-8H,3H2,1-2H3,(H,14,15)/t8-/m1/s1
InChIKeyZVHRMYIGFKTKME-MRVPVSSYSA-N
MW255.70 g/mol
LogP2.02
Rot. Bonds4

About [(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-chlorobenzoate

[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-chlorobenzoate (PubChem CID 9412610) has the molecular formula C12H14ClNO3 and a molecular weight of 255.70 g/mol. Its IUPAC name is [(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-chlorobenzoate.

Molecular Properties

Compound Name[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-chlorobenzoate
PubChem CID9412610
Molecular FormulaC12H14ClNO3
Molecular Weight255.70 g/mol
Exact Mass255.07
IUPAC Name[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-chlorobenzoate
SMILESCCNC(=O)[C@@H](C)OC(=O)c1ccccc1Cl
InChIInChI=1S/C12H14ClNO3/c1-3-14-11(15)8(2)17-12(16)9-6-4-5-7-10(9)13/h4-8H,3H2,1-2H3,(H,14,15)/t8-/m1/s1
InChIKeyZVHRMYIGFKTKME-MRVPVSSYSA-N
XLogP2.02
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-bromobenzoate
CID 9412570
[1-(ethylamino)-1-oxopropan-2-yl] 5-amino-2-chlorobenzoate
CID 61321068
[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-[(4-chlorobenzoyl)amino]benzoate
CID 8601672
[(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-amino-4-chlorobenzoate
CID 8602840
[(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-chloro-5-nitrobenzoate
CID 9414718
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(2-chlorophenyl)methoxy]benzoate
CID 16532605
[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 2-chlorobenzoate
CID 7477025
[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 2-(difluoromethoxy)benzoate
CID 18091472
[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-chlorobenzoate
CID 7477035
[1-oxo-1-(2-phenylethylamino)propan-2-yl] 2-amino-3-chlorobenzoate
CID 24531323
[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 2-[(R)-methylsulfinyl]benzoate
CID 11938840
[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 5-[benzyl(methyl)sulfamoyl]-2-chlorobenzoate
CID 27695690

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-chlorobenzoate?
The IUPAC name of [(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-chlorobenzoate (CID 9412610) is [(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-chlorobenzoate.
What is the SMILES notation for [(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-chlorobenzoate?
The canonical SMILES for [(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-chlorobenzoate is CCNC(=O)[C@@H](C)OC(=O)c1ccccc1Cl.
What is the InChIKey of [(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-chlorobenzoate?
The InChIKey is ZVHRMYIGFKTKME-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H14ClNO3/c1-3-14-11(15)8(2)17-12(16)9-6-4-5-7-10(9)13/h4-8H,3H2,1-2H3,(H,14,15)/t8-/m1/s1.
What are the key properties of [(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-chlorobenzoate?
[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-chlorobenzoate has a molecular weight of 255.70 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-chlorobenzoate is sourced from PubChem (CID 9412610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).