(4R)-5-(dipentylamino)-5-oxo-4-(quinoline-3-carbonylamino)pentanoic acid

C25H35N3O4 — CID 3081191

IUPAC(4R)-5-(dipentylamino)-5-oxo-4-(quinoline-3-carbonylamino)pentanoic acid
SMILESCCCCCN(CCCCC)C(=O)[C@@H](CCC(=O)O)NC(=O)c1cnc2ccccc2c1
InChIInChI=1S/C25H35N3O4/c1-3-5-9-15-28(16-10-6-4-2)25(32)22(13-14-23(29)30)27-24(31)20-17-19-11-7-8-12-21(19)26-18-20/h7-8,11-12,17-18,22H,3-6,9-10,13-16H2,1-2H3,(H,27,31)(H,29,30)/t22-/m1/s1
InChIKeyLVIZXRRZYVZZEN-JOCHJYFZSA-N
MW441.57 g/mol
LogP4.41
Rot. Bonds14

About (4R)-5-(dipentylamino)-5-oxo-4-(quinoline-3-carbonylamino)pentanoic acid

(4R)-5-(dipentylamino)-5-oxo-4-(quinoline-3-carbonylamino)pentanoic acid (PubChem CID 3081191) has the molecular formula C25H35N3O4 and a molecular weight of 441.57 g/mol. Its IUPAC name is (4R)-5-(dipentylamino)-5-oxo-4-(quinoline-3-carbonylamino)pentanoic acid.

Molecular Properties

Compound Name(4R)-5-(dipentylamino)-5-oxo-4-(quinoline-3-carbonylamino)pentanoic acid
PubChem CID3081191
Molecular FormulaC25H35N3O4
Molecular Weight441.57 g/mol
Exact Mass441.26
IUPAC Name(4R)-5-(dipentylamino)-5-oxo-4-(quinoline-3-carbonylamino)pentanoic acid
SMILESCCCCCN(CCCCC)C(=O)[C@@H](CCC(=O)O)NC(=O)c1cnc2ccccc2c1
InChIInChI=1S/C25H35N3O4/c1-3-5-9-15-28(16-10-6-4-2)25(32)22(13-14-23(29)30)27-24(31)20-17-19-11-7-8-12-21(19)26-18-20/h7-8,11-12,17-18,22H,3-6,9-10,13-16H2,1-2H3,(H,27,31)(H,29,30)/t22-/m1/s1
InChIKeyLVIZXRRZYVZZEN-JOCHJYFZSA-N
XLogP4.41
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.57
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 (4R)-5-(dipentylamino)-5-oxo-4-(quinoline-3-carbonylamino)pentanoic acid?
The IUPAC name of (4R)-5-(dipentylamino)-5-oxo-4-(quinoline-3-carbonylamino)pentanoic acid (CID 3081191) is (4R)-5-(dipentylamino)-5-oxo-4-(quinoline-3-carbonylamino)pentanoic acid.
What is the SMILES notation for (4R)-5-(dipentylamino)-5-oxo-4-(quinoline-3-carbonylamino)pentanoic acid?
The canonical SMILES for (4R)-5-(dipentylamino)-5-oxo-4-(quinoline-3-carbonylamino)pentanoic acid is CCCCCN(CCCCC)C(=O)[C@@H](CCC(=O)O)NC(=O)c1cnc2ccccc2c1.
What is the InChIKey of (4R)-5-(dipentylamino)-5-oxo-4-(quinoline-3-carbonylamino)pentanoic acid?
The InChIKey is LVIZXRRZYVZZEN-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H35N3O4/c1-3-5-9-15-28(16-10-6-4-2)25(32)22(13-14-23(29)30)27-24(31)20-17-19-11-7-8-12-21(19)26-18-20/h7-8,11-12,17-18,22H,3-6,9-10,13-16H2,1-2H3,(H,27,31)(H,29,30)/t22-/m1/s1.
What are the key properties of (4R)-5-(dipentylamino)-5-oxo-4-(quinoline-3-carbonylamino)pentanoic acid?
(4R)-5-(dipentylamino)-5-oxo-4-(quinoline-3-carbonylamino)pentanoic acid has a molecular weight of 441.57 g/mol, XLogP of 4.41, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-(dipentylamino)-5-oxo-4-(quinoline-3-carbonylamino)pentanoic acid is sourced from PubChem (CID 3081191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).