ethyl (2R)-2-[(3-ethoxy-3-oxopropanoyl)amino]-2-methyl-3-phenylpropanoate

C17H23NO5 — CID 102009919

IUPACethyl (2R)-2-[(3-ethoxy-3-oxopropanoyl)amino]-2-methyl-3-phenylpropanoate
SMILESCCOC(=O)CC(=O)N[C@](C)(Cc1ccccc1)C(=O)OCC
InChIInChI=1S/C17H23NO5/c1-4-22-15(20)11-14(19)18-17(3,16(21)23-5-2)12-13-9-7-6-8-10-13/h6-10H,4-5,11-12H2,1-3H3,(H,18,19)/t17-/m1/s1
InChIKeyJCRUNBDFBTXKSU-QGZVFWFLSA-N
MW321.37 g/mol
LogP1.62
Rot. Bonds8

About ethyl (2R)-2-[(3-ethoxy-3-oxopropanoyl)amino]-2-methyl-3-phenylpropanoate

ethyl (2R)-2-[(3-ethoxy-3-oxopropanoyl)amino]-2-methyl-3-phenylpropanoate (PubChem CID 102009919) has the molecular formula C17H23NO5 and a molecular weight of 321.37 g/mol. Its IUPAC name is ethyl (2R)-2-[(3-ethoxy-3-oxopropanoyl)amino]-2-methyl-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl (2R)-2-[(3-ethoxy-3-oxopropanoyl)amino]-2-methyl-3-phenylpropanoate
PubChem CID102009919
Molecular FormulaC17H23NO5
Molecular Weight321.37 g/mol
Exact Mass321.16
IUPAC Nameethyl (2R)-2-[(3-ethoxy-3-oxopropanoyl)amino]-2-methyl-3-phenylpropanoate
SMILESCCOC(=O)CC(=O)N[C@](C)(Cc1ccccc1)C(=O)OCC
InChIInChI=1S/C17H23NO5/c1-4-22-15(20)11-14(19)18-17(3,16(21)23-5-2)12-13-9-7-6-8-10-13/h6-10H,4-5,11-12H2,1-3H3,(H,18,19)/t17-/m1/s1
InChIKeyJCRUNBDFBTXKSU-QGZVFWFLSA-N
XLogP1.62
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

triethyl 1-benzyl-3-oxobutane-1,1,4-tricarboxylate
CID 50916041
ethyl (2R)-2-acetamido-3-(3-fluorophenyl)-2-methylpropanoate
CID 10587890
3-ethoxy-2-methyl-3-oxo-2-[(2-phenylacetyl)amino]propanoic acid
CID 134098342
ethyl 2-(3,5-difluorophenyl)-2-methyl-3-phenylpropanoate
CID 117048127
2,2-dibenzyl-3-ethoxy-3-oxopropanoic acid
CID 14551025
diethyl 2-benzyl-2-[(2-methylpropan-2-yl)oxy]propanedioate
CID 135197301
methyl (2R)-2-methyl-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 140762631
ethyl 2-amino-2-benzylbutanoate
CID 10857051
ethyl 3-[(2-methyl-2-phenylpropyl)amino]-3-oxopropanoate
CID 115138677
ethyl 2-(benzylamino)-3-methoxy-2-methylpropanoate
CID 62534926
1-O-ethyl 7-O-methyl 4-benzyl-4-methylheptanedioate
CID 134916484
ethyl 2-methyl-2-(3-methylphenyl)-3-phenylpropanoate
CID 57419846

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-[(3-ethoxy-3-oxopropanoyl)amino]-2-methyl-3-phenylpropanoate?
The IUPAC name of ethyl (2R)-2-[(3-ethoxy-3-oxopropanoyl)amino]-2-methyl-3-phenylpropanoate (CID 102009919) is ethyl (2R)-2-[(3-ethoxy-3-oxopropanoyl)amino]-2-methyl-3-phenylpropanoate.
What is the SMILES notation for ethyl (2R)-2-[(3-ethoxy-3-oxopropanoyl)amino]-2-methyl-3-phenylpropanoate?
The canonical SMILES for ethyl (2R)-2-[(3-ethoxy-3-oxopropanoyl)amino]-2-methyl-3-phenylpropanoate is CCOC(=O)CC(=O)N[C@](C)(Cc1ccccc1)C(=O)OCC.
What is the InChIKey of ethyl (2R)-2-[(3-ethoxy-3-oxopropanoyl)amino]-2-methyl-3-phenylpropanoate?
The InChIKey is JCRUNBDFBTXKSU-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H23NO5/c1-4-22-15(20)11-14(19)18-17(3,16(21)23-5-2)12-13-9-7-6-8-10-13/h6-10H,4-5,11-12H2,1-3H3,(H,18,19)/t17-/m1/s1.
What are the key properties of ethyl (2R)-2-[(3-ethoxy-3-oxopropanoyl)amino]-2-methyl-3-phenylpropanoate?
ethyl (2R)-2-[(3-ethoxy-3-oxopropanoyl)amino]-2-methyl-3-phenylpropanoate has a molecular weight of 321.37 g/mol, XLogP of 1.62, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-[(3-ethoxy-3-oxopropanoyl)amino]-2-methyl-3-phenylpropanoate is sourced from PubChem (CID 102009919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).