1-O-tert-butyl 3-O-methyl 3-(2-methylprop-2-enyl)pyrrolidine-1,3-dicarboxylate

C15H25NO4 — CID 59373662

IUPAC1-O-tert-butyl 3-O-methyl 3-(2-methylprop-2-enyl)pyrrolidine-1,3-dicarboxylate
SMILESC=C(C)CC1(C(=O)OC)CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H25NO4/c1-11(2)9-15(12(17)19-6)7-8-16(10-15)13(18)20-14(3,4)5/h1,7-10H2,2-6H3
InChIKeyDHVZGYCCHFDMRW-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.75
Rot. Bonds3

About 1-O-tert-butyl 3-O-methyl 3-(2-methylprop-2-enyl)pyrrolidine-1,3-dicarboxylate

1-O-tert-butyl 3-O-methyl 3-(2-methylprop-2-enyl)pyrrolidine-1,3-dicarboxylate (PubChem CID 59373662) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-O-tert-butyl 3-O-methyl 3-(2-methylprop-2-enyl)pyrrolidine-1,3-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 3-O-methyl 3-(2-methylprop-2-enyl)pyrrolidine-1,3-dicarboxylate
PubChem CID59373662
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name1-O-tert-butyl 3-O-methyl 3-(2-methylprop-2-enyl)pyrrolidine-1,3-dicarboxylate
SMILESC=C(C)CC1(C(=O)OC)CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H25NO4/c1-11(2)9-15(12(17)19-6)7-8-16(10-15)13(18)20-14(3,4)5/h1,7-10H2,2-6H3
InChIKeyDHVZGYCCHFDMRW-UHFFFAOYSA-N
XLogP2.75
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-((Tert-butoxy)carbonyl)-3-(prop-2-en-1-yl)pyrrolidine-3-carboxylic acid
CID 79421148
1-tert-Butyl 3-methyl 3-allylpyrrolidine-1,3-dicarboxylate
CID 11536331
1-O-tert-butyl 3-O-methyl (3S,4R)-3-methyl-4-prop-2-enylpyrrolidine-1,3-dicarboxylate
CID 67678241
1-(1,1-Dimethylethyl) 4-Ethyl 4-(2-Methyl-2-propenyl)-1,4-piperidinedicarboxylate
CID 69559116
1-tert-Butyl 4-methyl 4-(2-methylallyl)piperidine-1,4-dicarboxylate
CID 86709443
1-(tert-Butyl) 3-ethyl 3-propylpyrrolidine-1,3-dicarboxylate
CID 89876079
1-(tert-butyl) 3-methyl (S)-3-propylpyrrolidine-1,3-dicarboxylate
CID 89876123
1-(tert-Butyl) 3-ethyl (S)-3-propylpyrrolidine-1,3-dicarboxylate
CID 89876128
1-tert-Butyl 3-methyl 3-propylpyrrolidine-1,3-dicarboxylate
CID 89876314
1-O-tert-butyl 3-O-chloro 3-propylpyrrolidine-1,3-dicarboxylate
CID 117864507
1-O-tert-butyl 3-O-methyl (3S,4R)-4-prop-2-enylpyrrolidine-1,3-dicarboxylate
CID 121420177
(S)-1-(tert-butoxycarbonyl)-3-propylpyrrolidine-3-carboxylate
CID 123597291

Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 3-O-methyl 3-(2-methylprop-2-enyl)pyrrolidine-1,3-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 3-O-methyl 3-(2-methylprop-2-enyl)pyrrolidine-1,3-dicarboxylate (CID 59373662) is 1-O-tert-butyl 3-O-methyl 3-(2-methylprop-2-enyl)pyrrolidine-1,3-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 3-O-methyl 3-(2-methylprop-2-enyl)pyrrolidine-1,3-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 3-O-methyl 3-(2-methylprop-2-enyl)pyrrolidine-1,3-dicarboxylate is C=C(C)CC1(C(=O)OC)CCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of 1-O-tert-butyl 3-O-methyl 3-(2-methylprop-2-enyl)pyrrolidine-1,3-dicarboxylate?
The InChIKey is DHVZGYCCHFDMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-11(2)9-15(12(17)19-6)7-8-16(10-15)13(18)20-14(3,4)5/h1,7-10H2,2-6H3.
What are the key properties of 1-O-tert-butyl 3-O-methyl 3-(2-methylprop-2-enyl)pyrrolidine-1,3-dicarboxylate?
1-O-tert-butyl 3-O-methyl 3-(2-methylprop-2-enyl)pyrrolidine-1,3-dicarboxylate has a molecular weight of 283.37 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 3-O-methyl 3-(2-methylprop-2-enyl)pyrrolidine-1,3-dicarboxylate is sourced from PubChem (CID 59373662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).