5-methoxy-5-oxo-2-[[2-(prop-2-ynylamino)acetyl]amino]pentanoic acid

C11H16N2O5 — CID 82787521

IUPAC5-methoxy-5-oxo-2-[[2-(prop-2-ynylamino)acetyl]amino]pentanoic acid
SMILESC#CCNCC(=O)NC(CCC(=O)OC)C(=O)O
InChIInChI=1S/C11H16N2O5/c1-3-6-12-7-9(14)13-8(11(16)17)4-5-10(15)18-2/h1,8,12H,4-7H2,2H3,(H,13,14)(H,16,17)
InChIKeyXQOYAMKATXVQBO-UHFFFAOYSA-N
MW256.26 g/mol
LogP-1.27
Rot. Bonds8

About 5-methoxy-5-oxo-2-[[2-(prop-2-ynylamino)acetyl]amino]pentanoic acid

5-methoxy-5-oxo-2-[[2-(prop-2-ynylamino)acetyl]amino]pentanoic acid (PubChem CID 82787521) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is 5-methoxy-5-oxo-2-[[2-(prop-2-ynylamino)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-methoxy-5-oxo-2-[[2-(prop-2-ynylamino)acetyl]amino]pentanoic acid
PubChem CID82787521
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Name5-methoxy-5-oxo-2-[[2-(prop-2-ynylamino)acetyl]amino]pentanoic acid
SMILESC#CCNCC(=O)NC(CCC(=O)OC)C(=O)O
InChIInChI=1S/C11H16N2O5/c1-3-6-12-7-9(14)13-8(11(16)17)4-5-10(15)18-2/h1,8,12H,4-7H2,2H3,(H,13,14)(H,16,17)
InChIKeyXQOYAMKATXVQBO-UHFFFAOYSA-N
XLogP-1.27
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-1.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-2-[[2-(prop-2-ynylamino)acetyl]amino]butanoic acid
CID 79270679
(2S)-2-[[2-(ethylamino)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 114005133
(2R)-2-[[2-(prop-2-ynylamino)acetyl]amino]butanoic acid
CID 79272201
(2S)-2-[[2-(cyclopropylmethylamino)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107824278
5-methoxy-2-[[2-(2-methoxyethylamino)acetyl]amino]-5-oxopentanoic acid
CID 82786530
2-[(4-methoxy-4-oxobutanoyl)amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 58996824
(2R)-2-[3-(ethylamino)propanoylamino]-5-methoxy-5-oxopentanoic acid
CID 114005141
2-(2-aminopent-4-ynoylamino)-5-methoxy-5-oxopentanoic acid
CID 82786912
2-methyl-6-[[2-(prop-2-ynylamino)acetyl]amino]heptanoic acid
CID 79271455
(2R)-2-(5-aminopentanoylamino)-5-methoxy-5-oxopentanoic acid
CID 113342345
(2R)-2-[(2-tert-butylsulfanylacetyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820679
(2S)-2-[[2-(4-chlorophenyl)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107820376

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-5-oxo-2-[[2-(prop-2-ynylamino)acetyl]amino]pentanoic acid?
The IUPAC name of 5-methoxy-5-oxo-2-[[2-(prop-2-ynylamino)acetyl]amino]pentanoic acid (CID 82787521) is 5-methoxy-5-oxo-2-[[2-(prop-2-ynylamino)acetyl]amino]pentanoic acid.
What is the SMILES notation for 5-methoxy-5-oxo-2-[[2-(prop-2-ynylamino)acetyl]amino]pentanoic acid?
The canonical SMILES for 5-methoxy-5-oxo-2-[[2-(prop-2-ynylamino)acetyl]amino]pentanoic acid is C#CCNCC(=O)NC(CCC(=O)OC)C(=O)O.
What is the InChIKey of 5-methoxy-5-oxo-2-[[2-(prop-2-ynylamino)acetyl]amino]pentanoic acid?
The InChIKey is XQOYAMKATXVQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5/c1-3-6-12-7-9(14)13-8(11(16)17)4-5-10(15)18-2/h1,8,12H,4-7H2,2H3,(H,13,14)(H,16,17).
What are the key properties of 5-methoxy-5-oxo-2-[[2-(prop-2-ynylamino)acetyl]amino]pentanoic acid?
5-methoxy-5-oxo-2-[[2-(prop-2-ynylamino)acetyl]amino]pentanoic acid has a molecular weight of 256.26 g/mol, XLogP of -1.27, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-5-oxo-2-[[2-(prop-2-ynylamino)acetyl]amino]pentanoic acid is sourced from PubChem (CID 82787521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).