4-(2-aminoethyl)-5-methyl-N-(5-oxopyrrolidin-3-yl)hexanamide

C13H25N3O2 — CID 114155694

IUPAC4-(2-aminoethyl)-5-methyl-N-(5-oxopyrrolidin-3-yl)hexanamide
SMILESCC(C)C(CCN)CCC(=O)NC1CNC(=O)C1
InChIInChI=1S/C13H25N3O2/c1-9(2)10(5-6-14)3-4-12(17)16-11-7-13(18)15-8-11/h9-11H,3-8,14H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyVHSCPCNXMRAJEY-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.39
Rot. Bonds7

About 4-(2-aminoethyl)-5-methyl-N-(5-oxopyrrolidin-3-yl)hexanamide

4-(2-aminoethyl)-5-methyl-N-(5-oxopyrrolidin-3-yl)hexanamide (PubChem CID 114155694) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-(2-aminoethyl)-5-methyl-N-(5-oxopyrrolidin-3-yl)hexanamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-5-methyl-N-(5-oxopyrrolidin-3-yl)hexanamide
PubChem CID114155694
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name4-(2-aminoethyl)-5-methyl-N-(5-oxopyrrolidin-3-yl)hexanamide
SMILESCC(C)C(CCN)CCC(=O)NC1CNC(=O)C1
InChIInChI=1S/C13H25N3O2/c1-9(2)10(5-6-14)3-4-12(17)16-11-7-13(18)15-8-11/h9-11H,3-8,14H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyVHSCPCNXMRAJEY-UHFFFAOYSA-N
XLogP0.39
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-N-(5-oxopyrrolidin-3-yl)pentanamide
CID 106197992
5-amino-N-(5-oxopyrrolidin-3-yl)hexanamide
CID 106187716
4-(2-aminoethyl)-N-(2,3-dihydro-1H-inden-2-yl)-5-methylhexanamide
CID 107842822
4-(2-aminoethyl)-5-methyl-N-(1-methyl-6-oxopiperidin-3-yl)hexanamide
CID 64669409
N-(5-oxopyrrolidin-3-yl)-2-(propan-2-ylamino)acetamide
CID 106187640
3-(ethylamino)-N-(5-oxopyrrolidin-3-yl)propanamide
CID 106187570
3-(tert-butylamino)-N-(5-oxopyrrolidin-3-yl)propanamide
CID 106187499
3-amino-N-(5-oxopyrrolidin-3-yl)pentanamide
CID 106187621
2-chloro-N-(5-oxopyrrolidin-3-yl)acetamide
CID 106186093
(2S)-2-amino-N-(5-oxopyrrolidin-3-yl)pentanamide
CID 106187633
(2R)-2-amino-4-methyl-N-(5-oxopyrrolidin-3-yl)pentanamide
CID 106187627
2-carbamothioyl-N-(5-oxopyrrolidin-3-yl)pentanamide
CID 106189156

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-5-methyl-N-(5-oxopyrrolidin-3-yl)hexanamide?
The IUPAC name of 4-(2-aminoethyl)-5-methyl-N-(5-oxopyrrolidin-3-yl)hexanamide (CID 114155694) is 4-(2-aminoethyl)-5-methyl-N-(5-oxopyrrolidin-3-yl)hexanamide.
What is the SMILES notation for 4-(2-aminoethyl)-5-methyl-N-(5-oxopyrrolidin-3-yl)hexanamide?
The canonical SMILES for 4-(2-aminoethyl)-5-methyl-N-(5-oxopyrrolidin-3-yl)hexanamide is CC(C)C(CCN)CCC(=O)NC1CNC(=O)C1.
What is the InChIKey of 4-(2-aminoethyl)-5-methyl-N-(5-oxopyrrolidin-3-yl)hexanamide?
The InChIKey is VHSCPCNXMRAJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-9(2)10(5-6-14)3-4-12(17)16-11-7-13(18)15-8-11/h9-11H,3-8,14H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 4-(2-aminoethyl)-5-methyl-N-(5-oxopyrrolidin-3-yl)hexanamide?
4-(2-aminoethyl)-5-methyl-N-(5-oxopyrrolidin-3-yl)hexanamide has a molecular weight of 255.36 g/mol, XLogP of 0.39, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-5-methyl-N-(5-oxopyrrolidin-3-yl)hexanamide is sourced from PubChem (CID 114155694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).