3-amino-3-ethoxycarbonyl-2-methyl-5-oxo-5-phenylpentanoic acid

C15H19NO5 — CID 70358131

IUPAC3-amino-3-ethoxycarbonyl-2-methyl-5-oxo-5-phenylpentanoic acid
SMILESCCOC(=O)C(N)(CC(=O)c1ccccc1)C(C)C(=O)O
InChIInChI=1S/C15H19NO5/c1-3-21-14(20)15(16,10(2)13(18)19)9-12(17)11-7-5-4-6-8-11/h4-8,10H,3,9,16H2,1-2H3,(H,18,19)
InChIKeyJIBMMFWCCSTHIQ-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.24
Rot. Bonds7

About 3-amino-3-ethoxycarbonyl-2-methyl-5-oxo-5-phenylpentanoic acid

3-amino-3-ethoxycarbonyl-2-methyl-5-oxo-5-phenylpentanoic acid (PubChem CID 70358131) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 3-amino-3-ethoxycarbonyl-2-methyl-5-oxo-5-phenylpentanoic acid.

Molecular Properties

Compound Name3-amino-3-ethoxycarbonyl-2-methyl-5-oxo-5-phenylpentanoic acid
PubChem CID70358131
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name3-amino-3-ethoxycarbonyl-2-methyl-5-oxo-5-phenylpentanoic acid
SMILESCCOC(=O)C(N)(CC(=O)c1ccccc1)C(C)C(=O)O
InChIInChI=1S/C15H19NO5/c1-3-21-14(20)15(16,10(2)13(18)19)9-12(17)11-7-5-4-6-8-11/h4-8,10H,3,9,16H2,1-2H3,(H,18,19)
InChIKeyJIBMMFWCCSTHIQ-UHFFFAOYSA-N
XLogP1.24
TPSA106.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2,2,3-trimethyl-4-oxo-4-phenylbutanoate
CID 101353023
ethyl 2-fluoro-2-methyl-4-oxo-4-phenylbutanoate
CID 175710484
diethyl 2-formamido-2-phenacylpropanedioate
CID 23201600
ethyl (E,2S)-2-hydroxy-2-phenacylpent-3-enoate
CID 122395671
3-amino-3-hydroxy-1-phenylbutan-1-one
CID 141444107
ethyl 2-benzylsulfanyl-2-methyl-4-oxo-4-phenylbutanoate
CID 90937137
ethyl (2S)-2-bromo-2-methyl-3-oxo-3-phenylpropanoate
CID 101364316
ethyl (2S)-2-hydroxy-2-methyl-3-oxo-3-phenylpropanoate
CID 131869499
1-O-ethyl 5-O-methyl (2R)-2-hydroxy-2-phenacylpentanedioate
CID 102383019
4-ethoxy-2,3,3-trimethyl-4-oxobutanoic acid
CID 22889431
methyl 2,2-dimethyl-4-oxo-4-phenylbutanoate
CID 18948507
ethyl (2S)-2-amino-2-phenylpropanoate
CID 86615568

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-ethoxycarbonyl-2-methyl-5-oxo-5-phenylpentanoic acid?
The IUPAC name of 3-amino-3-ethoxycarbonyl-2-methyl-5-oxo-5-phenylpentanoic acid (CID 70358131) is 3-amino-3-ethoxycarbonyl-2-methyl-5-oxo-5-phenylpentanoic acid.
What is the SMILES notation for 3-amino-3-ethoxycarbonyl-2-methyl-5-oxo-5-phenylpentanoic acid?
The canonical SMILES for 3-amino-3-ethoxycarbonyl-2-methyl-5-oxo-5-phenylpentanoic acid is CCOC(=O)C(N)(CC(=O)c1ccccc1)C(C)C(=O)O.
What is the InChIKey of 3-amino-3-ethoxycarbonyl-2-methyl-5-oxo-5-phenylpentanoic acid?
The InChIKey is JIBMMFWCCSTHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-3-21-14(20)15(16,10(2)13(18)19)9-12(17)11-7-5-4-6-8-11/h4-8,10H,3,9,16H2,1-2H3,(H,18,19).
What are the key properties of 3-amino-3-ethoxycarbonyl-2-methyl-5-oxo-5-phenylpentanoic acid?
3-amino-3-ethoxycarbonyl-2-methyl-5-oxo-5-phenylpentanoic acid has a molecular weight of 293.32 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-ethoxycarbonyl-2-methyl-5-oxo-5-phenylpentanoic acid is sourced from PubChem (CID 70358131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).