tert-butyl 4-(2-ethyl-5-methylpyrrolidin-1-yl)-4-oxobutanoate

C15H27NO3 — CID 106707669

IUPACtert-butyl 4-(2-ethyl-5-methylpyrrolidin-1-yl)-4-oxobutanoate
SMILESCCC1CCC(C)N1C(=O)CCC(=O)OC(C)(C)C
InChIInChI=1S/C15H27NO3/c1-6-12-8-7-11(2)16(12)13(17)9-10-14(18)19-15(3,4)5/h11-12H,6-10H2,1-5H3
InChIKeyPGNPNDGQMYZFHP-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.90
Rot. Bonds4

About tert-butyl 4-(2-ethyl-5-methylpyrrolidin-1-yl)-4-oxobutanoate

tert-butyl 4-(2-ethyl-5-methylpyrrolidin-1-yl)-4-oxobutanoate (PubChem CID 106707669) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is tert-butyl 4-(2-ethyl-5-methylpyrrolidin-1-yl)-4-oxobutanoate.

Molecular Properties

Compound Nametert-butyl 4-(2-ethyl-5-methylpyrrolidin-1-yl)-4-oxobutanoate
PubChem CID106707669
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Nametert-butyl 4-(2-ethyl-5-methylpyrrolidin-1-yl)-4-oxobutanoate
SMILESCCC1CCC(C)N1C(=O)CCC(=O)OC(C)(C)C
InChIInChI=1S/C15H27NO3/c1-6-12-8-7-11(2)16(12)13(17)9-10-14(18)19-15(3,4)5/h11-12H,6-10H2,1-5H3
InChIKeyPGNPNDGQMYZFHP-UHFFFAOYSA-N
XLogP2.90
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 4-(2-ethyl-5-methylpyrrolidin-1-yl)-4-oxobutanoate 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

2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-oxoethoxy]acetic acid
CID 83227952
tert-butyl 4-[(2R,4S)-4-hydroxy-2-methylpyrrolidin-1-yl]-4-oxobutanoate
CID 130286925
tert-butyl 4-(3,5-dimethylpiperidin-1-yl)-4-oxobutanoate
CID 106706964
ethyl 4-(2,6-dimethylpiperidin-1-yl)-4-oxobutanoate
CID 63282257
tert-butyl (2R,5R)-2-ethyl-5-heptylpyrrolidine-1-carboxylate
CID 10902578
tert-butyl 3-(4-ethylcyclohexyl)propanoate
CID 58103664
(2R)-1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-hydroxypropan-1-one
CID 131155812
tert-butyl N-[3-[(2S,6S)-2-(hydroxymethyl)-6-methylpiperidin-1-yl]-3-oxopropyl]carbamate
CID 97092176
(2-ethyl-5-methylpyrrolidin-1-yl)-piperidin-1-ylmethanone
CID 115887042
3-[tert-butyl-(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 83219291
2-[[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]methyl]-2-methylbutanoic acid
CID 83218786
4-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 83220540

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-ethyl-5-methylpyrrolidin-1-yl)-4-oxobutanoate?
The IUPAC name of tert-butyl 4-(2-ethyl-5-methylpyrrolidin-1-yl)-4-oxobutanoate (CID 106707669) is tert-butyl 4-(2-ethyl-5-methylpyrrolidin-1-yl)-4-oxobutanoate.
What is the SMILES notation for tert-butyl 4-(2-ethyl-5-methylpyrrolidin-1-yl)-4-oxobutanoate?
The canonical SMILES for tert-butyl 4-(2-ethyl-5-methylpyrrolidin-1-yl)-4-oxobutanoate is CCC1CCC(C)N1C(=O)CCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-(2-ethyl-5-methylpyrrolidin-1-yl)-4-oxobutanoate?
The InChIKey is PGNPNDGQMYZFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-6-12-8-7-11(2)16(12)13(17)9-10-14(18)19-15(3,4)5/h11-12H,6-10H2,1-5H3.
What are the key properties of tert-butyl 4-(2-ethyl-5-methylpyrrolidin-1-yl)-4-oxobutanoate?
tert-butyl 4-(2-ethyl-5-methylpyrrolidin-1-yl)-4-oxobutanoate has a molecular weight of 269.38 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-ethyl-5-methylpyrrolidin-1-yl)-4-oxobutanoate is sourced from PubChem (CID 106707669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).