2-(3-morpholin-4-ylpropylamino)-4-oxo-4-(pyridin-3-ylamino)butanoic acid

C16H24N4O4 — CID 18581142

IUPAC2-(3-morpholin-4-ylpropylamino)-4-oxo-4-(pyridin-3-ylamino)butanoic acid
SMILESO=C(CC(NCCCN1CCOCC1)C(=O)O)Nc1cccnc1
InChIInChI=1S/C16H24N4O4/c21-15(19-13-3-1-4-17-12-13)11-14(16(22)23)18-5-2-6-20-7-9-24-10-8-20/h1,3-4,12,14,18H,2,5-11H2,(H,19,21)(H,22,23)
InChIKeyIHYZSKPVOGCCLI-UHFFFAOYSA-N
MW336.39 g/mol
LogP0.18
Rot. Bonds9

About 2-(3-morpholin-4-ylpropylamino)-4-oxo-4-(pyridin-3-ylamino)butanoic acid

2-(3-morpholin-4-ylpropylamino)-4-oxo-4-(pyridin-3-ylamino)butanoic acid (PubChem CID 18581142) has the molecular formula C16H24N4O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-(3-morpholin-4-ylpropylamino)-4-oxo-4-(pyridin-3-ylamino)butanoic acid.

Molecular Properties

Compound Name2-(3-morpholin-4-ylpropylamino)-4-oxo-4-(pyridin-3-ylamino)butanoic acid
PubChem CID18581142
Molecular FormulaC16H24N4O4
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC Name2-(3-morpholin-4-ylpropylamino)-4-oxo-4-(pyridin-3-ylamino)butanoic acid
SMILESO=C(CC(NCCCN1CCOCC1)C(=O)O)Nc1cccnc1
InChIInChI=1S/C16H24N4O4/c21-15(19-13-3-1-4-17-12-13)11-14(16(22)23)18-5-2-6-20-7-9-24-10-8-20/h1,3-4,12,14,18H,2,5-11H2,(H,19,21)(H,22,23)
InChIKeyIHYZSKPVOGCCLI-UHFFFAOYSA-N
XLogP0.18
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-morpholin-4-ylpropylamino)-4-oxo-4-(pyridin-3-ylamino)butanoic acid?
The IUPAC name of 2-(3-morpholin-4-ylpropylamino)-4-oxo-4-(pyridin-3-ylamino)butanoic acid (CID 18581142) is 2-(3-morpholin-4-ylpropylamino)-4-oxo-4-(pyridin-3-ylamino)butanoic acid.
What is the SMILES notation for 2-(3-morpholin-4-ylpropylamino)-4-oxo-4-(pyridin-3-ylamino)butanoic acid?
The canonical SMILES for 2-(3-morpholin-4-ylpropylamino)-4-oxo-4-(pyridin-3-ylamino)butanoic acid is O=C(CC(NCCCN1CCOCC1)C(=O)O)Nc1cccnc1.
What is the InChIKey of 2-(3-morpholin-4-ylpropylamino)-4-oxo-4-(pyridin-3-ylamino)butanoic acid?
The InChIKey is IHYZSKPVOGCCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4/c21-15(19-13-3-1-4-17-12-13)11-14(16(22)23)18-5-2-6-20-7-9-24-10-8-20/h1,3-4,12,14,18H,2,5-11H2,(H,19,21)(H,22,23).
What are the key properties of 2-(3-morpholin-4-ylpropylamino)-4-oxo-4-(pyridin-3-ylamino)butanoic acid?
2-(3-morpholin-4-ylpropylamino)-4-oxo-4-(pyridin-3-ylamino)butanoic acid has a molecular weight of 336.39 g/mol, XLogP of 0.18, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-morpholin-4-ylpropylamino)-4-oxo-4-(pyridin-3-ylamino)butanoic acid is sourced from PubChem (CID 18581142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).