5-amino-4,7-dioxo-7-phenylmethoxyheptanoic acid

C14H17NO5 — CID 11334957

IUPAC5-amino-4,7-dioxo-7-phenylmethoxyheptanoic acid
SMILESNC(CC(=O)OCc1ccccc1)C(=O)CCC(=O)O
InChIInChI=1S/C14H17NO5/c15-11(12(16)6-7-13(17)18)8-14(19)20-9-10-4-2-1-3-5-10/h1-5,11H,6-9,15H2,(H,17,18)
InChIKeyVHJYJOSTQMIPEC-UHFFFAOYSA-N
MW279.29 g/mol
LogP0.88
Rot. Bonds8

About 5-amino-4,7-dioxo-7-phenylmethoxyheptanoic acid

5-amino-4,7-dioxo-7-phenylmethoxyheptanoic acid (PubChem CID 11334957) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is 5-amino-4,7-dioxo-7-phenylmethoxyheptanoic acid.

Molecular Properties

Compound Name5-amino-4,7-dioxo-7-phenylmethoxyheptanoic acid
PubChem CID11334957
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name5-amino-4,7-dioxo-7-phenylmethoxyheptanoic acid
SMILESNC(CC(=O)OCc1ccccc1)C(=O)CCC(=O)O
InChIInChI=1S/C14H17NO5/c15-11(12(16)6-7-13(17)18)8-14(19)20-9-10-4-2-1-3-5-10/h1-5,11H,6-9,15H2,(H,17,18)
InChIKeyVHJYJOSTQMIPEC-UHFFFAOYSA-N
XLogP0.88
TPSA106.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-4-amino-5-oxo-5-phenylmethoxypentanoic acid
CID 7009632
4-O-benzyl 1-O-(2-phenylethyl) (2R)-2-aminobutanedioate
CID 125471458
benzyl 4-amino-5-oxooctanoate
CID 123170480
dibenzyl 3-hydroxypentanedioate
CID 23067924
benzyl 3-hydroxy-3-phenylpropanoate
CID 15466820
26-oxo-26-phenylmethoxyhexacosanoic acid
CID 155487553
benzyl 4-amino-3-methylpentanoate
CID 174893438
benzyl (3S)-3-amino-4-(methylamino)-4-sulfanylidenebutanoate
CID 88908893
benzyl (3S)-3-amino-4-(cyclohexylamino)-4-oxobutanoate
CID 165352812
benzyl 3-amino-4-(2-methoxyethylamino)-4-oxobutanoate
CID 10016506
benzyl 3-amino-4-(cyclododecylamino)-4-oxobutanoate
CID 14373253
2-(2-oxo-2-phenylmethoxyethyl)butanedioic acid
CID 22986863

Frequently Asked Questions

What is the IUPAC name of 5-amino-4,7-dioxo-7-phenylmethoxyheptanoic acid?
The IUPAC name of 5-amino-4,7-dioxo-7-phenylmethoxyheptanoic acid (CID 11334957) is 5-amino-4,7-dioxo-7-phenylmethoxyheptanoic acid.
What is the SMILES notation for 5-amino-4,7-dioxo-7-phenylmethoxyheptanoic acid?
The canonical SMILES for 5-amino-4,7-dioxo-7-phenylmethoxyheptanoic acid is NC(CC(=O)OCc1ccccc1)C(=O)CCC(=O)O.
What is the InChIKey of 5-amino-4,7-dioxo-7-phenylmethoxyheptanoic acid?
The InChIKey is VHJYJOSTQMIPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c15-11(12(16)6-7-13(17)18)8-14(19)20-9-10-4-2-1-3-5-10/h1-5,11H,6-9,15H2,(H,17,18).
What are the key properties of 5-amino-4,7-dioxo-7-phenylmethoxyheptanoic acid?
5-amino-4,7-dioxo-7-phenylmethoxyheptanoic acid has a molecular weight of 279.29 g/mol, XLogP of 0.88, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4,7-dioxo-7-phenylmethoxyheptanoic acid is sourced from PubChem (CID 11334957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).