[3-methyl-2,4-dioxo-4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butyl] 3-hydroxyheptanoate

C18H30N2O6 — CID 143532580

IUPAC[3-methyl-2,4-dioxo-4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butyl] 3-hydroxyheptanoate
SMILESCCCCC(O)CC(=O)OCC(=O)C(C)C(=O)NCC(=O)N1CCCC1
InChIInChI=1S/C18H30N2O6/c1-3-4-7-14(21)10-17(24)26-12-15(22)13(2)18(25)19-11-16(23)20-8-5-6-9-20/h13-14,21H,3-12H2,1-2H3,(H,19,25)
InChIKeyKZHXPWDQHAHYKE-UHFFFAOYSA-N
MW370.45 g/mol
LogP0.41
Rot. Bonds11

About [3-methyl-2,4-dioxo-4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butyl] 3-hydroxyheptanoate

[3-methyl-2,4-dioxo-4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butyl] 3-hydroxyheptanoate (PubChem CID 143532580) has the molecular formula C18H30N2O6 and a molecular weight of 370.45 g/mol. Its IUPAC name is [3-methyl-2,4-dioxo-4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butyl] 3-hydroxyheptanoate.

Molecular Properties

Compound Name[3-methyl-2,4-dioxo-4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butyl] 3-hydroxyheptanoate
PubChem CID143532580
Molecular FormulaC18H30N2O6
Molecular Weight370.45 g/mol
Exact Mass370.21
IUPAC Name[3-methyl-2,4-dioxo-4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butyl] 3-hydroxyheptanoate
SMILESCCCCC(O)CC(=O)OCC(=O)C(C)C(=O)NCC(=O)N1CCCC1
InChIInChI=1S/C18H30N2O6/c1-3-4-7-14(21)10-17(24)26-12-15(22)13(2)18(25)19-11-16(23)20-8-5-6-9-20/h13-14,21H,3-12H2,1-2H3,(H,19,25)
InChIKeyKZHXPWDQHAHYKE-UHFFFAOYSA-N
XLogP0.41
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze [3-methyl-2,4-dioxo-4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butyl] 3-hydroxyheptanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-hydroxy-1-pyrrolidin-1-yldodecan-1-one
CID 91717749
2-methyl-3-oxo-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanoic acid
CID 114898938
2-methyl-3-oxo-3-[(2-oxo-2-piperidin-1-ylethyl)amino]propanoic acid
CID 114898939
(2S)-2-amino-N-[2-(azepan-1-yl)-2-oxoethyl]-3-methylbutanamide
CID 82959424
N-[2-(azepan-1-yl)-2-oxoethyl]pentanamide
CID 112995931
N-[1-oxo-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butan-2-yl]pentanamide
CID 123242180
1-(azepan-1-yl)-2-(heptan-2-ylamino)ethanone
CID 60688159
3-amino-N-(2-oxo-2-piperidin-1-ylethyl)butanamide
CID 115738358
[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-bromohexanoate
CID 86655157
ethyl 2-methyl-3-oxo-3-pyrrolidin-1-ylpropanoate
CID 135193493
(2-oxo-2-piperidin-1-ylethyl) propanoate
CID 57259337
1-(azepan-1-yl)-2-(pentan-2-ylamino)ethanone
CID 43179556

Frequently Asked Questions

What is the IUPAC name of [3-methyl-2,4-dioxo-4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butyl] 3-hydroxyheptanoate?
The IUPAC name of [3-methyl-2,4-dioxo-4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butyl] 3-hydroxyheptanoate (CID 143532580) is [3-methyl-2,4-dioxo-4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butyl] 3-hydroxyheptanoate.
What is the SMILES notation for [3-methyl-2,4-dioxo-4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butyl] 3-hydroxyheptanoate?
The canonical SMILES for [3-methyl-2,4-dioxo-4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butyl] 3-hydroxyheptanoate is CCCCC(O)CC(=O)OCC(=O)C(C)C(=O)NCC(=O)N1CCCC1.
What is the InChIKey of [3-methyl-2,4-dioxo-4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butyl] 3-hydroxyheptanoate?
The InChIKey is KZHXPWDQHAHYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O6/c1-3-4-7-14(21)10-17(24)26-12-15(22)13(2)18(25)19-11-16(23)20-8-5-6-9-20/h13-14,21H,3-12H2,1-2H3,(H,19,25).
What are the key properties of [3-methyl-2,4-dioxo-4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butyl] 3-hydroxyheptanoate?
[3-methyl-2,4-dioxo-4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butyl] 3-hydroxyheptanoate has a molecular weight of 370.45 g/mol, XLogP of 0.41, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-2,4-dioxo-4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butyl] 3-hydroxyheptanoate is sourced from PubChem (CID 143532580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).