5-methoxy-5-oxo-2-[(2-phenoxyacetyl)amino]pentanoic acid

C14H17NO6 — CID 82780603

IUPAC5-methoxy-5-oxo-2-[(2-phenoxyacetyl)amino]pentanoic acid
SMILESCOC(=O)CCC(NC(=O)COc1ccccc1)C(=O)O
InChIInChI=1S/C14H17NO6/c1-20-13(17)8-7-11(14(18)19)15-12(16)9-21-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,15,16)(H,18,19)
InChIKeyNXZXNUOLSIDECB-UHFFFAOYSA-N
MW295.29 g/mol
LogP0.59
Rot. Bonds8

About 5-methoxy-5-oxo-2-[(2-phenoxyacetyl)amino]pentanoic acid

5-methoxy-5-oxo-2-[(2-phenoxyacetyl)amino]pentanoic acid (PubChem CID 82780603) has the molecular formula C14H17NO6 and a molecular weight of 295.29 g/mol. Its IUPAC name is 5-methoxy-5-oxo-2-[(2-phenoxyacetyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-methoxy-5-oxo-2-[(2-phenoxyacetyl)amino]pentanoic acid
PubChem CID82780603
Molecular FormulaC14H17NO6
Molecular Weight295.29 g/mol
Exact Mass295.11
IUPAC Name5-methoxy-5-oxo-2-[(2-phenoxyacetyl)amino]pentanoic acid
SMILESCOC(=O)CCC(NC(=O)COc1ccccc1)C(=O)O
InChIInChI=1S/C14H17NO6/c1-20-13(17)8-7-11(14(18)19)15-12(16)9-21-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,15,16)(H,18,19)
InChIKeyNXZXNUOLSIDECB-UHFFFAOYSA-N
XLogP0.59
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[[2-(2-hydroxyphenyl)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107820559
(2R)-2-[(2-phenoxyacetyl)amino]-3-phenylpropanoic acid
CID 699216
(2S)-2-benzamido-5-methoxy-5-oxopentanoic acid
CID 10923432
(2S)-2-[[2-(4-chlorophenyl)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107820376
(2S)-2-[[2-(3-hydroxyphenyl)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107820137
(2R)-2-[[2-(3-bromophenyl)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107820705
5-methoxy-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]-5-oxopentanoic acid
CID 107147311
2-phenoxy-N-propan-2-ylacetamide
CID 3614481
dimethyl 2-(phenoxymethylamino)pentanedioate
CID 70841447
(2R)-2-[[2-(4-ethoxyphenoxy)acetyl]amino]-4-hydroxybutanoic acid
CID 107822845
(2R)-2-[(2-hydroxybenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820728
(2S)-2-[[2-(ethylamino)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 114005133

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-5-oxo-2-[(2-phenoxyacetyl)amino]pentanoic acid?
The IUPAC name of 5-methoxy-5-oxo-2-[(2-phenoxyacetyl)amino]pentanoic acid (CID 82780603) is 5-methoxy-5-oxo-2-[(2-phenoxyacetyl)amino]pentanoic acid.
What is the SMILES notation for 5-methoxy-5-oxo-2-[(2-phenoxyacetyl)amino]pentanoic acid?
The canonical SMILES for 5-methoxy-5-oxo-2-[(2-phenoxyacetyl)amino]pentanoic acid is COC(=O)CCC(NC(=O)COc1ccccc1)C(=O)O.
What is the InChIKey of 5-methoxy-5-oxo-2-[(2-phenoxyacetyl)amino]pentanoic acid?
The InChIKey is NXZXNUOLSIDECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO6/c1-20-13(17)8-7-11(14(18)19)15-12(16)9-21-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,15,16)(H,18,19).
What are the key properties of 5-methoxy-5-oxo-2-[(2-phenoxyacetyl)amino]pentanoic acid?
5-methoxy-5-oxo-2-[(2-phenoxyacetyl)amino]pentanoic acid has a molecular weight of 295.29 g/mol, XLogP of 0.59, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-5-oxo-2-[(2-phenoxyacetyl)amino]pentanoic acid is sourced from PubChem (CID 82780603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).