2-(2-aminopent-4-ynoylamino)-5-methoxy-5-oxopentanoic acid

C11H16N2O5 — CID 82786912

IUPAC2-(2-aminopent-4-ynoylamino)-5-methoxy-5-oxopentanoic acid
SMILESC#CCC(N)C(=O)NC(CCC(=O)OC)C(=O)O
InChIInChI=1S/C11H16N2O5/c1-3-4-7(12)10(15)13-8(11(16)17)5-6-9(14)18-2/h1,7-8H,4-6,12H2,2H3,(H,13,15)(H,16,17)
InChIKeyVYJNFVKUYAXAOK-UHFFFAOYSA-N
MW256.26 g/mol
LogP-1.14
Rot. Bonds7

About 2-(2-aminopent-4-ynoylamino)-5-methoxy-5-oxopentanoic acid

2-(2-aminopent-4-ynoylamino)-5-methoxy-5-oxopentanoic acid (PubChem CID 82786912) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-(2-aminopent-4-ynoylamino)-5-methoxy-5-oxopentanoic acid.

Molecular Properties

Compound Name2-(2-aminopent-4-ynoylamino)-5-methoxy-5-oxopentanoic acid
PubChem CID82786912
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Name2-(2-aminopent-4-ynoylamino)-5-methoxy-5-oxopentanoic acid
SMILESC#CCC(N)C(=O)NC(CCC(=O)OC)C(=O)O
InChIInChI=1S/C11H16N2O5/c1-3-4-7(12)10(15)13-8(11(16)17)5-6-9(14)18-2/h1,7-8H,4-6,12H2,2H3,(H,13,15)(H,16,17)
InChIKeyVYJNFVKUYAXAOK-UHFFFAOYSA-N
XLogP-1.14
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-5-amino-2-(2-aminopent-4-ynoylamino)-5-oxopentanoic acid
CID 107830312
(2R)-2-[(2-amino-3-carboxypropanoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107824352
(2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107824186
(2R)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 113342344
2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 103930427
5-methoxy-5-oxo-2-[[2-(prop-2-ynylamino)acetyl]amino]pentanoic acid
CID 82787521
2-[(4-amino-2-methylbutanoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82787220
2-[[(2R)-2-aminopentanoyl]amino]pent-4-ynoic acid
CID 107570339
(2S)-2-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107824122
2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 82786905
2-[[(2S)-2-amino-2-phenylacetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 104898298
(2S)-2-[[(2R)-2-amino-3-carboxypropanoyl]amino]pent-4-ynoic acid
CID 129381095

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopent-4-ynoylamino)-5-methoxy-5-oxopentanoic acid?
The IUPAC name of 2-(2-aminopent-4-ynoylamino)-5-methoxy-5-oxopentanoic acid (CID 82786912) is 2-(2-aminopent-4-ynoylamino)-5-methoxy-5-oxopentanoic acid.
What is the SMILES notation for 2-(2-aminopent-4-ynoylamino)-5-methoxy-5-oxopentanoic acid?
The canonical SMILES for 2-(2-aminopent-4-ynoylamino)-5-methoxy-5-oxopentanoic acid is C#CCC(N)C(=O)NC(CCC(=O)OC)C(=O)O.
What is the InChIKey of 2-(2-aminopent-4-ynoylamino)-5-methoxy-5-oxopentanoic acid?
The InChIKey is VYJNFVKUYAXAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5/c1-3-4-7(12)10(15)13-8(11(16)17)5-6-9(14)18-2/h1,7-8H,4-6,12H2,2H3,(H,13,15)(H,16,17).
What are the key properties of 2-(2-aminopent-4-ynoylamino)-5-methoxy-5-oxopentanoic acid?
2-(2-aminopent-4-ynoylamino)-5-methoxy-5-oxopentanoic acid has a molecular weight of 256.26 g/mol, XLogP of -1.14, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopent-4-ynoylamino)-5-methoxy-5-oxopentanoic acid is sourced from PubChem (CID 82786912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).