5-methoxy-5-oxo-2-[(3-propylpyrrolidine-3-carbonyl)amino]pentanoic acid

C14H24N2O5 — CID 82780940

IUPAC5-methoxy-5-oxo-2-[(3-propylpyrrolidine-3-carbonyl)amino]pentanoic acid
SMILESCCCC1(C(=O)NC(CCC(=O)OC)C(=O)O)CCNC1
InChIInChI=1S/C14H24N2O5/c1-3-6-14(7-8-15-9-14)13(20)16-10(12(18)19)4-5-11(17)21-2/h10,15H,3-9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyWOGIHOAALOHMCK-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.29
Rot. Bonds8

About 5-methoxy-5-oxo-2-[(3-propylpyrrolidine-3-carbonyl)amino]pentanoic acid

5-methoxy-5-oxo-2-[(3-propylpyrrolidine-3-carbonyl)amino]pentanoic acid (PubChem CID 82780940) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is 5-methoxy-5-oxo-2-[(3-propylpyrrolidine-3-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-methoxy-5-oxo-2-[(3-propylpyrrolidine-3-carbonyl)amino]pentanoic acid
PubChem CID82780940
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name5-methoxy-5-oxo-2-[(3-propylpyrrolidine-3-carbonyl)amino]pentanoic acid
SMILESCCCC1(C(=O)NC(CCC(=O)OC)C(=O)O)CCNC1
InChIInChI=1S/C14H24N2O5/c1-3-6-14(7-8-15-9-14)13(20)16-10(12(18)19)4-5-11(17)21-2/h10,15H,3-9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyWOGIHOAALOHMCK-UHFFFAOYSA-N
XLogP0.29
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-5-oxo-2-[(3-propylpyrrolidine-3-carbonyl)amino]pentanoic acid?
The IUPAC name of 5-methoxy-5-oxo-2-[(3-propylpyrrolidine-3-carbonyl)amino]pentanoic acid (CID 82780940) is 5-methoxy-5-oxo-2-[(3-propylpyrrolidine-3-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 5-methoxy-5-oxo-2-[(3-propylpyrrolidine-3-carbonyl)amino]pentanoic acid?
The canonical SMILES for 5-methoxy-5-oxo-2-[(3-propylpyrrolidine-3-carbonyl)amino]pentanoic acid is CCCC1(C(=O)NC(CCC(=O)OC)C(=O)O)CCNC1.
What is the InChIKey of 5-methoxy-5-oxo-2-[(3-propylpyrrolidine-3-carbonyl)amino]pentanoic acid?
The InChIKey is WOGIHOAALOHMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-3-6-14(7-8-15-9-14)13(20)16-10(12(18)19)4-5-11(17)21-2/h10,15H,3-9H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 5-methoxy-5-oxo-2-[(3-propylpyrrolidine-3-carbonyl)amino]pentanoic acid?
5-methoxy-5-oxo-2-[(3-propylpyrrolidine-3-carbonyl)amino]pentanoic acid has a molecular weight of 300.36 g/mol, XLogP of 0.29, 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-[(3-propylpyrrolidine-3-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 82780940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).