[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-hydroxy-2-phenylacetate

C19H19NO4 — CID 9414934

IUPAC[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-hydroxy-2-phenylacetate
SMILESO=C(O[C@@H](C(=O)NC1CC1)c1ccccc1)[C@@H](O)c1ccccc1
InChIInChI=1S/C19H19NO4/c21-16(13-7-3-1-4-8-13)19(23)24-17(14-9-5-2-6-10-14)18(22)20-15-11-12-15/h1-10,15-17,21H,11-12H2,(H,20,22)/t16-,17+/m0/s1
InChIKeyJNKMIWZTEQXIKJ-DLBZAZTESA-N
MW325.36 g/mol
LogP2.28
Rot. Bonds6

About [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-hydroxy-2-phenylacetate

[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-hydroxy-2-phenylacetate (PubChem CID 9414934) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-hydroxy-2-phenylacetate.

Molecular Properties

Compound Name[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-hydroxy-2-phenylacetate
PubChem CID9414934
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-hydroxy-2-phenylacetate
SMILESO=C(O[C@@H](C(=O)NC1CC1)c1ccccc1)[C@@H](O)c1ccccc1
InChIInChI=1S/C19H19NO4/c21-16(13-7-3-1-4-8-13)19(23)24-17(14-9-5-2-6-10-14)18(22)20-15-11-12-15/h1-10,15-17,21H,11-12H2,(H,20,22)/t16-,17+/m0/s1
InChIKeyJNKMIWZTEQXIKJ-DLBZAZTESA-N
XLogP2.28
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-cyclopropyl-2-methoxy-2-phenylacetamide
CID 958449
(2R)-2-(2-hydroxy-2-phenylacetyl)oxy-2-phenylacetic acid
CID 54256901
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-(carbamoylamino)-3-phenylpropanoate
CID 8938566
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-(phenylcarbamoylamino)propanoate
CID 8887741
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-(4-fluorophenoxy)propanoate
CID 8637077
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(2-fluorophenyl)propanoate
CID 8514509
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-benzamido-3-phenylpropanoate
CID 46825007
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-hydroxy-2-phenylacetate
CID 7821719
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-hydroxy-2-phenylacetate
CID 7821721
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-methoxybenzoate
CID 9414572
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (1R)-cyclohex-3-ene-1-carboxylate
CID 8639703
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-ethylbenzoate
CID 18198888

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-hydroxy-2-phenylacetate?
The IUPAC name of [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-hydroxy-2-phenylacetate (CID 9414934) is [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-hydroxy-2-phenylacetate.
What is the SMILES notation for [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-hydroxy-2-phenylacetate?
The canonical SMILES for [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-hydroxy-2-phenylacetate is O=C(O[C@@H](C(=O)NC1CC1)c1ccccc1)[C@@H](O)c1ccccc1.
What is the InChIKey of [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-hydroxy-2-phenylacetate?
The InChIKey is JNKMIWZTEQXIKJ-DLBZAZTESA-N. The full InChI is InChI=1S/C19H19NO4/c21-16(13-7-3-1-4-8-13)19(23)24-17(14-9-5-2-6-10-14)18(22)20-15-11-12-15/h1-10,15-17,21H,11-12H2,(H,20,22)/t16-,17+/m0/s1.
What are the key properties of [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-hydroxy-2-phenylacetate?
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-hydroxy-2-phenylacetate has a molecular weight of 325.36 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-hydroxy-2-phenylacetate is sourced from PubChem (CID 9414934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).