ethyl 2-[hydroxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-methyl-3-oxo-3-phenylpropanoate

C17H23NO6 — CID 102337462

IUPACethyl 2-[hydroxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-methyl-3-oxo-3-phenylpropanoate
SMILESCCOC(=O)C(C)(C(=O)c1ccccc1)N(O)C(=O)OC(C)(C)C
InChIInChI=1S/C17H23NO6/c1-6-23-14(20)17(5,13(19)12-10-8-7-9-11-12)18(22)15(21)24-16(2,3)4/h7-11,22H,6H2,1-5H3
InChIKeyXLPRQPNFMJVCTD-UHFFFAOYSA-N
MW337.37 g/mol
LogP2.82
Rot. Bonds5

About ethyl 2-[hydroxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-methyl-3-oxo-3-phenylpropanoate

ethyl 2-[hydroxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-methyl-3-oxo-3-phenylpropanoate (PubChem CID 102337462) has the molecular formula C17H23NO6 and a molecular weight of 337.37 g/mol. Its IUPAC name is ethyl 2-[hydroxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-methyl-3-oxo-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl 2-[hydroxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-methyl-3-oxo-3-phenylpropanoate
PubChem CID102337462
Molecular FormulaC17H23NO6
Molecular Weight337.37 g/mol
Exact Mass337.15
IUPAC Nameethyl 2-[hydroxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-methyl-3-oxo-3-phenylpropanoate
SMILESCCOC(=O)C(C)(C(=O)c1ccccc1)N(O)C(=O)OC(C)(C)C
InChIInChI=1S/C17H23NO6/c1-6-23-14(20)17(5,13(19)12-10-8-7-9-11-12)18(22)15(21)24-16(2,3)4/h7-11,22H,6H2,1-5H3
InChIKeyXLPRQPNFMJVCTD-UHFFFAOYSA-N
XLogP2.82
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl 2-[hydroxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-methyl-3-oxo-3-phenylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Diethyl acetamido(2-oxo-2-phenylethyl)propanedioate
CID 233989
Diethyl 2-phenacyl-2-(propanoylamino)propanedioate
CID 10861030
Diethyl 2-(butanoylamino)-2-phenacylpropanedioate
CID 10882996
Diethyl 2-(butanoylamino)-2-(3-oxo-3-phenylpropyl)propanedioate
CID 11025235
tert-butyl 6-fluoro-2-[hydroxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-oxo-1H-indene-2-carboxylate
CID 122381327
Ethyl 2-fluoro-2-[(2-methylpropan-2-yl)oxycarbonyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]-3-oxo-3-phenylpropanoate
CID 135061280
Diethyl 2-acetamido-2-[2-(4-octanoylphenyl)ethyl]propanedioate
CID 10939258
methyl (E,2R)-2-acetamido-2-benzoyl-5-phenylpent-4-enoate
CID 11046368
methyl (2R)-2-acetamido-2-benzoylpent-4-enoate
CID 11425839
methyl (E,2R)-2-acetamido-2-benzoyloct-4-enoate
CID 100965048
methyl (E)-2-acetamido-2-benzoyloct-4-enoate
CID 9818405
Methyl 2-acetamido-2-benzoylpent-4-enoate
CID 9925546

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[hydroxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-methyl-3-oxo-3-phenylpropanoate?
The IUPAC name of ethyl 2-[hydroxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-methyl-3-oxo-3-phenylpropanoate (CID 102337462) is ethyl 2-[hydroxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-methyl-3-oxo-3-phenylpropanoate.
What is the SMILES notation for ethyl 2-[hydroxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-methyl-3-oxo-3-phenylpropanoate?
The canonical SMILES for ethyl 2-[hydroxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-methyl-3-oxo-3-phenylpropanoate is CCOC(=O)C(C)(C(=O)c1ccccc1)N(O)C(=O)OC(C)(C)C.
What is the InChIKey of ethyl 2-[hydroxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-methyl-3-oxo-3-phenylpropanoate?
The InChIKey is XLPRQPNFMJVCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO6/c1-6-23-14(20)17(5,13(19)12-10-8-7-9-11-12)18(22)15(21)24-16(2,3)4/h7-11,22H,6H2,1-5H3.
What are the key properties of ethyl 2-[hydroxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-methyl-3-oxo-3-phenylpropanoate?
ethyl 2-[hydroxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-methyl-3-oxo-3-phenylpropanoate has a molecular weight of 337.37 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[hydroxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-methyl-3-oxo-3-phenylpropanoate is sourced from PubChem (CID 102337462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).