1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl 1-(2-methyliminopropanoyl)pyrrolidine-2-carboxylate

C21H36N2O3 — CID 131968708

IUPAC1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl 1-(2-methyliminopropanoyl)pyrrolidine-2-carboxylate
SMILESC/N=C(\C)C(=O)N1CCCC1C(=O)OC(C)CC1CCC(C)(C)C1(C)C
InChIInChI=1S/C21H36N2O3/c1-14(13-16-10-11-20(3,4)21(16,5)6)26-19(25)17-9-8-12-23(17)18(24)15(2)22-7/h14,16-17H,8-13H2,1-7H3/b22-15+
InChIKeyUDADQNPHGGXWDC-PXLXIMEGSA-N
MW364.53 g/mol
LogP3.85
Rot. Bonds5

About 1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl 1-(2-methyliminopropanoyl)pyrrolidine-2-carboxylate

1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl 1-(2-methyliminopropanoyl)pyrrolidine-2-carboxylate (PubChem CID 131968708) has the molecular formula C21H36N2O3 and a molecular weight of 364.53 g/mol. Its IUPAC name is 1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl 1-(2-methyliminopropanoyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Name1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl 1-(2-methyliminopropanoyl)pyrrolidine-2-carboxylate
PubChem CID131968708
Molecular FormulaC21H36N2O3
Molecular Weight364.53 g/mol
Exact Mass364.27
IUPAC Name1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl 1-(2-methyliminopropanoyl)pyrrolidine-2-carboxylate
SMILESC/N=C(\C)C(=O)N1CCCC1C(=O)OC(C)CC1CCC(C)(C)C1(C)C
InChIInChI=1S/C21H36N2O3/c1-14(13-16-10-11-20(3,4)21(16,5)6)26-19(25)17-9-8-12-23(17)18(24)15(2)22-7/h14,16-17H,8-13H2,1-7H3/b22-15+
InChIKeyUDADQNPHGGXWDC-PXLXIMEGSA-N
XLogP3.85
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl 1-[1-[[2-hydroxy-3-(4-nitrosophenyl)propanoyl]amino]cyclopropanecarbonyl]pyrrolidine-2-carboxylate
CID 166812943
1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl 1-[3-cyano-2-[(2-hydroxy-3-phenylpropanoyl)amino]propanoyl]pyrrolidine-2-carboxylate
CID 166812945
1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl 2-methylprop-2-enoate
CID 146210315
1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl 1-[3-[2-hydroxy-3-(4-hydroxyphenyl)propanoyl]-1,3-thiazolidine-4-carbonyl]pyrrolidine-2-carboxylate
CID 130440884
1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl 1-[4-[(2-hydroxy-3-phenylpropanoyl)amino]thiane-4-carbonyl]pyrrolidine-2-carboxylate
CID 166922007
1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl 1-[2-[(2-hydroxy-3-phenylpropanoyl)amino]-2-thiophen-2-ylacetyl]pyrrolidine-2-carboxylate
CID 131968814
[(2S)-4-methoxy-4-oxobutan-2-yl] 1-acetylpyrrolidine-2-carboxylate
CID 145029802
propan-2-yl (2R)-1-acetylpyrrolidine-2-carboxylate
CID 131843971
1-methyl-2-[4-methyl-5-(2,2,3,3-tetramethylcyclopentyl)pent-1-en-2-yl]pyrrolidine
CID 166922006
octan-2-yl (2S)-1-acetylpyrrolidine-2-carboxylate
CID 18611381
ethane;1-[2-(2-methyl-4-methyliminopent-2-en-3-yl)pyrrolidin-1-yl]ethanone
CID 178170514
propyl 1-(2-oxopropanoyl)pyrrolidine-2-carboxylate
CID 20709685

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl 1-(2-methyliminopropanoyl)pyrrolidine-2-carboxylate?
The IUPAC name of 1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl 1-(2-methyliminopropanoyl)pyrrolidine-2-carboxylate (CID 131968708) is 1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl 1-(2-methyliminopropanoyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for 1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl 1-(2-methyliminopropanoyl)pyrrolidine-2-carboxylate?
The canonical SMILES for 1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl 1-(2-methyliminopropanoyl)pyrrolidine-2-carboxylate is C/N=C(\C)C(=O)N1CCCC1C(=O)OC(C)CC1CCC(C)(C)C1(C)C.
What is the InChIKey of 1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl 1-(2-methyliminopropanoyl)pyrrolidine-2-carboxylate?
The InChIKey is UDADQNPHGGXWDC-PXLXIMEGSA-N. The full InChI is InChI=1S/C21H36N2O3/c1-14(13-16-10-11-20(3,4)21(16,5)6)26-19(25)17-9-8-12-23(17)18(24)15(2)22-7/h14,16-17H,8-13H2,1-7H3/b22-15+.
What are the key properties of 1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl 1-(2-methyliminopropanoyl)pyrrolidine-2-carboxylate?
1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl 1-(2-methyliminopropanoyl)pyrrolidine-2-carboxylate has a molecular weight of 364.53 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl 1-(2-methyliminopropanoyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 131968708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).