5-methoxy-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]-5-oxopentanoic acid

C14H18N2O5 — CID 107147311

IUPAC5-methoxy-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]-5-oxopentanoic acid
SMILESCOC(=O)CCC(NC(=O)Cc1ncccc1C)C(=O)O
InChIInChI=1S/C14H18N2O5/c1-9-4-3-7-15-11(9)8-12(17)16-10(14(19)20)5-6-13(18)21-2/h3-4,7,10H,5-6,8H2,1-2H3,(H,16,17)(H,19,20)
InChIKeyZXBLJUYOALUGHX-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.46
Rot. Bonds7

About 5-methoxy-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]-5-oxopentanoic acid

5-methoxy-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]-5-oxopentanoic acid (PubChem CID 107147311) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 5-methoxy-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-methoxy-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]-5-oxopentanoic acid
PubChem CID107147311
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name5-methoxy-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]-5-oxopentanoic acid
SMILESCOC(=O)CCC(NC(=O)Cc1ncccc1C)C(=O)O
InChIInChI=1S/C14H18N2O5/c1-9-4-3-7-15-11(9)8-12(17)16-10(14(19)20)5-6-13(18)21-2/h3-4,7,10H,5-6,8H2,1-2H3,(H,16,17)(H,19,20)
InChIKeyZXBLJUYOALUGHX-UHFFFAOYSA-N
XLogP0.46
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]butanedioic acid
CID 107147287
2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]-4-methylsulfanylbutanoic acid
CID 107147066
5-methoxy-2-[(3-methylpyridine-2-carbonyl)amino]-5-oxopentanoic acid
CID 82786990
methyl 2-(3-methyl-2-pyridinyl)acetate
CID 59570556
(2R)-5-methoxy-2-[(2-methylpyridine-3-carbonyl)amino]-5-oxopentanoic acid
CID 107820710
methyl 4-methyl-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]pentanoate
CID 107148609
(2R)-2-[[2-(2-hydroxyphenyl)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107820559
5-methoxy-5-oxo-2-[(2-phenoxyacetyl)amino]pentanoic acid
CID 82780603
2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]-2-phenylacetic acid
CID 107147088
3-[[2-(3-methyl-2-pyridinyl)acetyl]amino]butanoic acid
CID 107147106
(2S)-2-[[2-(4-chlorophenyl)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107820376
3-(1H-imidazol-5-yl)-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]propanoic acid
CID 107864180

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]-5-oxopentanoic acid?
The IUPAC name of 5-methoxy-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]-5-oxopentanoic acid (CID 107147311) is 5-methoxy-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-methoxy-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]-5-oxopentanoic acid?
The canonical SMILES for 5-methoxy-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]-5-oxopentanoic acid is COC(=O)CCC(NC(=O)Cc1ncccc1C)C(=O)O.
What is the InChIKey of 5-methoxy-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]-5-oxopentanoic acid?
The InChIKey is ZXBLJUYOALUGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-9-4-3-7-15-11(9)8-12(17)16-10(14(19)20)5-6-13(18)21-2/h3-4,7,10H,5-6,8H2,1-2H3,(H,16,17)(H,19,20).
What are the key properties of 5-methoxy-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]-5-oxopentanoic acid?
5-methoxy-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]-5-oxopentanoic acid has a molecular weight of 294.31 g/mol, XLogP of 0.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 107147311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).