3-[6-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]propanoic acid

C16H20N4O5 — CID 11950379

IUPAC3-[6-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]propanoic acid
SMILESCOCCNc1c(CCC(=O)O)nc2ccc(/C=C/C(=O)NO)cn12
InChIInChI=1S/C16H20N4O5/c1-25-9-8-17-16-12(4-7-15(22)23)18-13-5-2-11(10-20(13)16)3-6-14(21)19-24/h2-3,5-6,10,17,24H,4,7-9H2,1H3,(H,19,21)(H,22,23)/b6-3+
InChIKeyCJOMGDNSIUOZRC-ZZXKWVIFSA-N
MW348.36 g/mol
LogP0.93
Rot. Bonds9

About 3-[6-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]propanoic acid

3-[6-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]propanoic acid (PubChem CID 11950379) has the molecular formula C16H20N4O5 and a molecular weight of 348.36 g/mol. Its IUPAC name is 3-[6-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[6-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]propanoic acid
PubChem CID11950379
Molecular FormulaC16H20N4O5
Molecular Weight348.36 g/mol
Exact Mass348.14
IUPAC Name3-[6-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]propanoic acid
SMILESCOCCNc1c(CCC(=O)O)nc2ccc(/C=C/C(=O)NO)cn12
InChIInChI=1S/C16H20N4O5/c1-25-9-8-17-16-12(4-7-15(22)23)18-13-5-2-11(10-20(13)16)3-6-14(21)19-24/h2-3,5-6,10,17,24H,4,7-9H2,1H3,(H,19,21)(H,22,23)/b6-3+
InChIKeyCJOMGDNSIUOZRC-ZZXKWVIFSA-N
XLogP0.93
TPSA125.19 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 50.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]propanoic acid?
The IUPAC name of 3-[6-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]propanoic acid (CID 11950379) is 3-[6-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]propanoic acid.
What is the SMILES notation for 3-[6-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]propanoic acid?
The canonical SMILES for 3-[6-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]propanoic acid is COCCNc1c(CCC(=O)O)nc2ccc(/C=C/C(=O)NO)cn12.
What is the InChIKey of 3-[6-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]propanoic acid?
The InChIKey is CJOMGDNSIUOZRC-ZZXKWVIFSA-N. The full InChI is InChI=1S/C16H20N4O5/c1-25-9-8-17-16-12(4-7-15(22)23)18-13-5-2-11(10-20(13)16)3-6-14(21)19-24/h2-3,5-6,10,17,24H,4,7-9H2,1H3,(H,19,21)(H,22,23)/b6-3+.
What are the key properties of 3-[6-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]propanoic acid?
3-[6-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]propanoic acid has a molecular weight of 348.36 g/mol, XLogP of 0.93, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]propanoic acid is sourced from PubChem (CID 11950379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).