N-methyl-N'-[[5-oxo-1-[(3R)-2-oxopentan-3-yl]pyrrolidin-3-yl]methyl]butanediamide

C15H25N3O4 — CID 163470900

IUPACN-methyl-N'-[[5-oxo-1-[(3R)-2-oxopentan-3-yl]pyrrolidin-3-yl]methyl]butanediamide
SMILESCC[C@H](C(C)=O)N1CC(CNC(=O)CCC(=O)NC)CC1=O
InChIInChI=1S/C15H25N3O4/c1-4-12(10(2)19)18-9-11(7-15(18)22)8-17-14(21)6-5-13(20)16-3/h11-12H,4-9H2,1-3H3,(H,16,20)(H,17,21)/t11?,12-/m1/s1
InChIKeyUOYRGCPLNLNUBX-PIJUOVFKSA-N
MW311.38 g/mol
LogP-0.16
Rot. Bonds8

About N-methyl-N'-[[5-oxo-1-[(3R)-2-oxopentan-3-yl]pyrrolidin-3-yl]methyl]butanediamide

N-methyl-N'-[[5-oxo-1-[(3R)-2-oxopentan-3-yl]pyrrolidin-3-yl]methyl]butanediamide (PubChem CID 163470900) has the molecular formula C15H25N3O4 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-methyl-N'-[[5-oxo-1-[(3R)-2-oxopentan-3-yl]pyrrolidin-3-yl]methyl]butanediamide.

Molecular Properties

Compound NameN-methyl-N'-[[5-oxo-1-[(3R)-2-oxopentan-3-yl]pyrrolidin-3-yl]methyl]butanediamide
PubChem CID163470900
Molecular FormulaC15H25N3O4
Molecular Weight311.38 g/mol
Exact Mass311.18
IUPAC NameN-methyl-N'-[[5-oxo-1-[(3R)-2-oxopentan-3-yl]pyrrolidin-3-yl]methyl]butanediamide
SMILESCC[C@H](C(C)=O)N1CC(CNC(=O)CCC(=O)NC)CC1=O
InChIInChI=1S/C15H25N3O4/c1-4-12(10(2)19)18-9-11(7-15(18)22)8-17-14(21)6-5-13(20)16-3/h11-12H,4-9H2,1-3H3,(H,16,20)(H,17,21)/t11?,12-/m1/s1
InChIKeyUOYRGCPLNLNUBX-PIJUOVFKSA-N
XLogP-0.16
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-[[5-oxo-1-[(3R)-2-oxopentan-3-yl]pyrrolidin-3-yl]methyl]butanediamide?
The IUPAC name of N-methyl-N'-[[5-oxo-1-[(3R)-2-oxopentan-3-yl]pyrrolidin-3-yl]methyl]butanediamide (CID 163470900) is N-methyl-N'-[[5-oxo-1-[(3R)-2-oxopentan-3-yl]pyrrolidin-3-yl]methyl]butanediamide.
What is the SMILES notation for N-methyl-N'-[[5-oxo-1-[(3R)-2-oxopentan-3-yl]pyrrolidin-3-yl]methyl]butanediamide?
The canonical SMILES for N-methyl-N'-[[5-oxo-1-[(3R)-2-oxopentan-3-yl]pyrrolidin-3-yl]methyl]butanediamide is CC[C@H](C(C)=O)N1CC(CNC(=O)CCC(=O)NC)CC1=O.
What is the InChIKey of N-methyl-N'-[[5-oxo-1-[(3R)-2-oxopentan-3-yl]pyrrolidin-3-yl]methyl]butanediamide?
The InChIKey is UOYRGCPLNLNUBX-PIJUOVFKSA-N. The full InChI is InChI=1S/C15H25N3O4/c1-4-12(10(2)19)18-9-11(7-15(18)22)8-17-14(21)6-5-13(20)16-3/h11-12H,4-9H2,1-3H3,(H,16,20)(H,17,21)/t11?,12-/m1/s1.
What are the key properties of N-methyl-N'-[[5-oxo-1-[(3R)-2-oxopentan-3-yl]pyrrolidin-3-yl]methyl]butanediamide?
N-methyl-N'-[[5-oxo-1-[(3R)-2-oxopentan-3-yl]pyrrolidin-3-yl]methyl]butanediamide has a molecular weight of 311.38 g/mol, XLogP of -0.16, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-[[5-oxo-1-[(3R)-2-oxopentan-3-yl]pyrrolidin-3-yl]methyl]butanediamide is sourced from PubChem (CID 163470900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).