3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-N-[2-oxo-2-[[2-oxo-2-[(2-oxo-1-propylpyrrolidin-3-yl)amino]ethyl]amino]ethyl]propanamide

C18H27N5O6 — CID 174342908

IUPAC3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-N-[2-oxo-2-[[2-oxo-2-[(2-oxo-1-propylpyrrolidin-3-yl)amino]ethyl]amino]ethyl]propanamide
SMILESCCCN1CCC(NC(=O)CNC(=O)CNC(=O)CCN2C(=O)C=CC2O)C1=O
InChIInChI=1S/C18H27N5O6/c1-2-7-22-8-5-12(18(22)29)21-15(26)11-20-14(25)10-19-13(24)6-9-23-16(27)3-4-17(23)28/h3-4,12,16,27H,2,5-11H2,1H3,(H,19,24)(H,20,25)(H,21,26)
InChIKeyKBYSAEFCSFFSGV-UHFFFAOYSA-N
MW409.44 g/mol
LogP-2.55
Rot. Bonds10

About 3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-N-[2-oxo-2-[[2-oxo-2-[(2-oxo-1-propylpyrrolidin-3-yl)amino]ethyl]amino]ethyl]propanamide

3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-N-[2-oxo-2-[[2-oxo-2-[(2-oxo-1-propylpyrrolidin-3-yl)amino]ethyl]amino]ethyl]propanamide (PubChem CID 174342908) has the molecular formula C18H27N5O6 and a molecular weight of 409.44 g/mol. Its IUPAC name is 3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-N-[2-oxo-2-[[2-oxo-2-[(2-oxo-1-propylpyrrolidin-3-yl)amino]ethyl]amino]ethyl]propanamide.

Molecular Properties

Compound Name3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-N-[2-oxo-2-[[2-oxo-2-[(2-oxo-1-propylpyrrolidin-3-yl)amino]ethyl]amino]ethyl]propanamide
PubChem CID174342908
Molecular FormulaC18H27N5O6
Molecular Weight409.44 g/mol
Exact Mass409.20
IUPAC Name3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-N-[2-oxo-2-[[2-oxo-2-[(2-oxo-1-propylpyrrolidin-3-yl)amino]ethyl]amino]ethyl]propanamide
SMILESCCCN1CCC(NC(=O)CNC(=O)CNC(=O)CCN2C(=O)C=CC2O)C1=O
InChIInChI=1S/C18H27N5O6/c1-2-7-22-8-5-12(18(22)29)21-15(26)11-20-14(25)10-19-13(24)6-9-23-16(27)3-4-17(23)28/h3-4,12,16,27H,2,5-11H2,1H3,(H,19,24)(H,20,25)(H,21,26)
InChIKeyKBYSAEFCSFFSGV-UHFFFAOYSA-N
XLogP-2.55
TPSA148.15 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 5-2.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-N-[2-oxo-2-[[2-oxo-2-[(2-oxo-1-propylpyrrolidin-3-yl)amino]ethyl]amino]ethyl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-N-[2-oxo-2-[[2-oxo-2-[(2-oxo-1-propylpyrrolidin-3-yl)amino]ethyl]amino]ethyl]propanamide?
The IUPAC name of 3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-N-[2-oxo-2-[[2-oxo-2-[(2-oxo-1-propylpyrrolidin-3-yl)amino]ethyl]amino]ethyl]propanamide (CID 174342908) is 3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-N-[2-oxo-2-[[2-oxo-2-[(2-oxo-1-propylpyrrolidin-3-yl)amino]ethyl]amino]ethyl]propanamide.
What is the SMILES notation for 3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-N-[2-oxo-2-[[2-oxo-2-[(2-oxo-1-propylpyrrolidin-3-yl)amino]ethyl]amino]ethyl]propanamide?
The canonical SMILES for 3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-N-[2-oxo-2-[[2-oxo-2-[(2-oxo-1-propylpyrrolidin-3-yl)amino]ethyl]amino]ethyl]propanamide is CCCN1CCC(NC(=O)CNC(=O)CNC(=O)CCN2C(=O)C=CC2O)C1=O.
What is the InChIKey of 3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-N-[2-oxo-2-[[2-oxo-2-[(2-oxo-1-propylpyrrolidin-3-yl)amino]ethyl]amino]ethyl]propanamide?
The InChIKey is KBYSAEFCSFFSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O6/c1-2-7-22-8-5-12(18(22)29)21-15(26)11-20-14(25)10-19-13(24)6-9-23-16(27)3-4-17(23)28/h3-4,12,16,27H,2,5-11H2,1H3,(H,19,24)(H,20,25)(H,21,26).
What are the key properties of 3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-N-[2-oxo-2-[[2-oxo-2-[(2-oxo-1-propylpyrrolidin-3-yl)amino]ethyl]amino]ethyl]propanamide?
3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-N-[2-oxo-2-[[2-oxo-2-[(2-oxo-1-propylpyrrolidin-3-yl)amino]ethyl]amino]ethyl]propanamide has a molecular weight of 409.44 g/mol, XLogP of -2.55, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-N-[2-oxo-2-[[2-oxo-2-[(2-oxo-1-propylpyrrolidin-3-yl)amino]ethyl]amino]ethyl]propanamide is sourced from PubChem (CID 174342908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).