[(2S)-1-amino-1-oxopropan-2-yl] 2-(2-phenylethyl)benzoate

C18H19NO3 — CID 2118279

IUPAC[(2S)-1-amino-1-oxopropan-2-yl] 2-(2-phenylethyl)benzoate
SMILESC[C@H](OC(=O)c1ccccc1CCc1ccccc1)C(N)=O
InChIInChI=1S/C18H19NO3/c1-13(17(19)20)22-18(21)16-10-6-5-9-15(16)12-11-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H2,19,20)/t13-/m0/s1
InChIKeyJFCRIZHYJFGKQC-ZDUSSCGKSA-N
MW297.35 g/mol
LogP2.50
Rot. Bonds6

About [(2S)-1-amino-1-oxopropan-2-yl] 2-(2-phenylethyl)benzoate

[(2S)-1-amino-1-oxopropan-2-yl] 2-(2-phenylethyl)benzoate (PubChem CID 2118279) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is [(2S)-1-amino-1-oxopropan-2-yl] 2-(2-phenylethyl)benzoate.

Molecular Properties

Compound Name[(2S)-1-amino-1-oxopropan-2-yl] 2-(2-phenylethyl)benzoate
PubChem CID2118279
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name[(2S)-1-amino-1-oxopropan-2-yl] 2-(2-phenylethyl)benzoate
SMILESC[C@H](OC(=O)c1ccccc1CCc1ccccc1)C(N)=O
InChIInChI=1S/C18H19NO3/c1-13(17(19)20)22-18(21)16-10-6-5-9-15(16)12-11-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H2,19,20)/t13-/m0/s1
InChIKeyJFCRIZHYJFGKQC-ZDUSSCGKSA-N
XLogP2.50
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-amino-1-oxopropan-2-yl] 2-benzylbenzoate
CID 7382431
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(2-phenylethyl)benzoate
CID 2609828
methyl 2-(2-phenylethyl)benzoate
CID 59701000
(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
CID 56504712
[(2S)-1-oxo-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl] 2-benzylbenzoate
CID 7809515
[(2S)-1-amino-1-oxopropan-2-yl] 2-phenoxybenzoate
CID 2498474
2-(dimethylamino)ethyl 2-(2-phenylethyl)benzoate
CID 26543
[(2R)-1-amino-1-oxopropan-2-yl] 2-ethoxybenzoate
CID 8606844
(1-amino-1-oxopropan-2-yl) 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoate
CID 18080436
propan-2-yl 4-[[2-(2-phenylethyl)benzoyl]amino]benzoate
CID 1183511
(2S)-2-methyl-4-phenylbutanamide;molecular hydrogen
CID 143947472

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-amino-1-oxopropan-2-yl] 2-(2-phenylethyl)benzoate?
The IUPAC name of [(2S)-1-amino-1-oxopropan-2-yl] 2-(2-phenylethyl)benzoate (CID 2118279) is [(2S)-1-amino-1-oxopropan-2-yl] 2-(2-phenylethyl)benzoate.
What is the SMILES notation for [(2S)-1-amino-1-oxopropan-2-yl] 2-(2-phenylethyl)benzoate?
The canonical SMILES for [(2S)-1-amino-1-oxopropan-2-yl] 2-(2-phenylethyl)benzoate is C[C@H](OC(=O)c1ccccc1CCc1ccccc1)C(N)=O.
What is the InChIKey of [(2S)-1-amino-1-oxopropan-2-yl] 2-(2-phenylethyl)benzoate?
The InChIKey is JFCRIZHYJFGKQC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H19NO3/c1-13(17(19)20)22-18(21)16-10-6-5-9-15(16)12-11-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H2,19,20)/t13-/m0/s1.
What are the key properties of [(2S)-1-amino-1-oxopropan-2-yl] 2-(2-phenylethyl)benzoate?
[(2S)-1-amino-1-oxopropan-2-yl] 2-(2-phenylethyl)benzoate has a molecular weight of 297.35 g/mol, XLogP of 2.50, 6 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-(2-phenylethyl)benzoate is sourced from PubChem (CID 2118279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).