N-[2-(3-methylbutanoylamino)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

C15H27N3O3 — CID 108538490

IUPACN-[2-(3-methylbutanoylamino)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)CC(=O)NCCNC(=O)C1CC(=O)N(C(C)C)C1
InChIInChI=1S/C15H27N3O3/c1-10(2)7-13(19)16-5-6-17-15(21)12-8-14(20)18(9-12)11(3)4/h10-12H,5-9H2,1-4H3,(H,16,19)(H,17,21)
InChIKeyTXDKUCRLZVSLPG-UHFFFAOYSA-N
MW297.40 g/mol
LogP0.52
Rot. Bonds7

About N-[2-(3-methylbutanoylamino)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

N-[2-(3-methylbutanoylamino)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 108538490) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[2-(3-methylbutanoylamino)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methylbutanoylamino)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID108538490
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC NameN-[2-(3-methylbutanoylamino)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)CC(=O)NCCNC(=O)C1CC(=O)N(C(C)C)C1
InChIInChI=1S/C15H27N3O3/c1-10(2)7-13(19)16-5-6-17-15(21)12-8-14(20)18(9-12)11(3)4/h10-12H,5-9H2,1-4H3,(H,16,19)(H,17,21)
InChIKeyTXDKUCRLZVSLPG-UHFFFAOYSA-N
XLogP0.52
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 108539720
tert-butyl N-[3-oxo-3-[2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]ethylamino]propyl]carbamate
CID 108537211
N-(5-hydroxypentyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 107318400
3-methyl-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]butanamide
CID 110737177
2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]acetic acid
CID 43170550
N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 108540657
N-(2-hydroxy-4-methylpentyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 103771609
N-(2-ethylbutyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 113232057
(3R)-N-[2-[(2-fluorobenzoyl)amino]ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 95130167
phenyl N-[2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]ethyl]carbamate
CID 108572395
N-[2-(benzenesulfonamido)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 108572384
(3S)-N-[2-(4-fluorophenyl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 9401620

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylbutanoylamino)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(3-methylbutanoylamino)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (CID 108538490) is N-[2-(3-methylbutanoylamino)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(3-methylbutanoylamino)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(3-methylbutanoylamino)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is CC(C)CC(=O)NCCNC(=O)C1CC(=O)N(C(C)C)C1.
What is the InChIKey of N-[2-(3-methylbutanoylamino)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is TXDKUCRLZVSLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-10(2)7-13(19)16-5-6-17-15(21)12-8-14(20)18(9-12)11(3)4/h10-12H,5-9H2,1-4H3,(H,16,19)(H,17,21).
What are the key properties of N-[2-(3-methylbutanoylamino)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
N-[2-(3-methylbutanoylamino)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 0.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylbutanoylamino)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 108538490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).