propan-2-yl 1-butyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 1-ethyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 1-heptyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 1-hexyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 5-oxo-1-pentylpyrrolidine-3-carboxylate;propan-2-yl 5-oxo-1-propylpyrrolidine-3-carboxylate

C75H132N6O18 — CID 158141937

IUPACpropan-2-yl 1-butyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 1-ethyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 1-heptyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 1-hexyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 5-oxo-1-pentylpyrrolidine-3-carboxylate;propan-2-yl 5-oxo-1-propylpyrrolidine-3-carboxylate
SMILESCCCCCCCN1CC(C(=O)OC(C)C)CC1=O.CCCCCCN1CC(C(=O)OC(C)C)CC1=O.CCCCCN1CC(C(=O)OC(C)C)CC1=O.CCCCN1CC(C(=O)OC(C)C)CC1=O.CCCN1CC(C(=O)OC(C)C)CC1=O.CCN1CC(C(=O)OC(C)C)CC1=O
InChIInChI=1S/C15H27NO3.C14H25NO3.C13H23NO3.C12H21NO3.C11H19NO3.C10H17NO3/c1-4-5-6-7-8-9-16-11-13(10-14(16)17)15(18)19-12(2)3;1-4-5-6-7-8-15-10-12(9-13(15)16)14(17)18-11(2)3;1-4-5-6-7-14-9-11(8-12(14)15)13(16)17-10(2)3;1-4-5-6-13-8-10(7-11(13)14)12(15)16-9(2)3;1-4-5-12-7-9(6-10(12)13)11(14)15-8(2)3;1-4-11-6-8(5-9(11)12)10(13)14-7(2)3/h12-13H,4-11H2,1-3H3;11-12H,4-10H2,1-3H3;10-11H,4-9H2,1-3H3;9-10H,4-8H2,1-3H3;8-9H,4-7H2,1-3H3;7-8H,4-6H2,1-3H3
InChIKeyFUAVPUMUHGRUAS-UHFFFAOYSA-N
MW1405.90 g/mol
LogP10.69
Rot. Bonds33

About propan-2-yl 1-butyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 1-ethyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 1-heptyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 1-hexyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 5-oxo-1-pentylpyrrolidine-3-carboxylate;propan-2-yl 5-oxo-1-propylpyrrolidine-3-carboxylate

propan-2-yl 1-butyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 1-ethyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 1-heptyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 1-hexyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 5-oxo-1-pentylpyrrolidine-3-carboxylate;propan-2-yl 5-oxo-1-propylpyrrolidine-3-carboxylate (PubChem CID 158141937) has the molecular formula C75H132N6O18 and a molecular weight of 1405.90 g/mol. Its IUPAC name is propan-2-yl 1-butyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 1-ethyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 1-heptyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 1-hexyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 5-oxo-1-pentylpyrrolidine-3-carboxylate;propan-2-yl 5-oxo-1-propylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 1-butyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 1-ethyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 1-heptyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 1-hexyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 5-oxo-1-pentylpyrrolidine-3-carboxylate;propan-2-yl 5-oxo-1-propylpyrrolidine-3-carboxylate
PubChem CID158141937
Molecular FormulaC75H132N6O18
Molecular Weight1405.90 g/mol
Exact Mass1404.96
IUPAC Namepropan-2-yl 1-butyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 1-ethyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 1-heptyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 1-hexyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 5-oxo-1-pentylpyrrolidine-3-carboxylate;propan-2-yl 5-oxo-1-propylpyrrolidine-3-carboxylate
SMILESCCCCCCCN1CC(C(=O)OC(C)C)CC1=O.CCCCCCN1CC(C(=O)OC(C)C)CC1=O.CCCCCN1CC(C(=O)OC(C)C)CC1=O.CCCCN1CC(C(=O)OC(C)C)CC1=O.CCCN1CC(C(=O)OC(C)C)CC1=O.CCN1CC(C(=O)OC(C)C)CC1=O
InChIInChI=1S/C15H27NO3.C14H25NO3.C13H23NO3.C12H21NO3.C11H19NO3.C10H17NO3/c1-4-5-6-7-8-9-16-11-13(10-14(16)17)15(18)19-12(2)3;1-4-5-6-7-8-15-10-12(9-13(15)16)14(17)18-11(2)3;1-4-5-6-7-14-9-11(8-12(14)15)13(16)17-10(2)3;1-4-5-6-13-8-10(7-11(13)14)12(15)16-9(2)3;1-4-5-12-7-9(6-10(12)13)11(14)15-8(2)3;1-4-11-6-8(5-9(11)12)10(13)14-7(2)3/h12-13H,4-11H2,1-3H3;11-12H,4-10H2,1-3H3;10-11H,4-9H2,1-3H3;9-10H,4-8H2,1-3H3;8-9H,4-7H2,1-3H3;7-8H,4-6H2,1-3H3
InChIKeyFUAVPUMUHGRUAS-UHFFFAOYSA-N
XLogP10.69
TPSA279.66 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds33
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001405.90
LogP ≤ 510.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze propan-2-yl 1-butyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 1-ethyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 1-heptyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 1-hexyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 5-oxo-1-pentylpyrrolidine-3-carboxylate;propan-2-yl 5-oxo-1-propylpyrrolidine-3-carboxylate with MolForge

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Related Compounds

propan-2-yl 1-decyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 1-dodecyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 1-hexadecyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 1-nonyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 5-oxo-1-undecylpyrrolidine-3-carboxylate
CID 160622792
methyl (3R)-1-butyl-5-oxopyrrolidine-3-carboxylate
CID 94069422
octyl 1-octyl-5-oxopyrrolidine-3-carboxylate
CID 59359662
(3R)-1-hexyl-5-oxopyrrolidine-3-carboxylic acid
CID 7144531
1-decyl-5-oxopyrrolidine-3-carboxylic acid
CID 3023563
sodium 1-octadecyl-5-oxopyrrolidine-3-carboxylate
CID 23662612
(3S)-1-butyl-5-oxopyrrolidine-3-carboxylate
CID 7711163
methyl (3S)-1-ethyl-5-oxopyrrolidine-3-carboxylate
CID 42579819
(3S)-5-oxo-1-propylpyrrolidine-3-carboxylic acid
CID 7583712
sodium 1-butyl-5-oxopyrrolidine-3-carboxylate
CID 23662544
triethylplumbyl 1-octadec-9-enyl-5-oxopyrrolidine-3-carboxylate
CID 16683430
1-heptyl-5-oxopyrrolidine-3-carbohydrazide
CID 54792515

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 1-butyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 1-ethyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 1-heptyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 1-hexyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 5-oxo-1-pentylpyrrolidine-3-carboxylate;propan-2-yl 5-oxo-1-propylpyrrolidine-3-carboxylate?
The IUPAC name of propan-2-yl 1-butyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 1-ethyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 1-heptyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 1-hexyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 5-oxo-1-pentylpyrrolidine-3-carboxylate;propan-2-yl 5-oxo-1-propylpyrrolidine-3-carboxylate (CID 158141937) is propan-2-yl 1-butyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 1-ethyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 1-heptyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 1-hexyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 5-oxo-1-pentylpyrrolidine-3-carboxylate;propan-2-yl 5-oxo-1-propylpyrrolidine-3-carboxylate.
What is the SMILES notation for propan-2-yl 1-butyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 1-ethyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 1-heptyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 1-hexyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 5-oxo-1-pentylpyrrolidine-3-carboxylate;propan-2-yl 5-oxo-1-propylpyrrolidine-3-carboxylate?
The canonical SMILES for propan-2-yl 1-butyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 1-ethyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 1-heptyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 1-hexyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 5-oxo-1-pentylpyrrolidine-3-carboxylate;propan-2-yl 5-oxo-1-propylpyrrolidine-3-carboxylate is CCCCCCCN1CC(C(=O)OC(C)C)CC1=O.CCCCCCN1CC(C(=O)OC(C)C)CC1=O.CCCCCN1CC(C(=O)OC(C)C)CC1=O.CCCCN1CC(C(=O)OC(C)C)CC1=O.CCCN1CC(C(=O)OC(C)C)CC1=O.CCN1CC(C(=O)OC(C)C)CC1=O.
What is the InChIKey of propan-2-yl 1-butyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 1-ethyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 1-heptyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 1-hexyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 5-oxo-1-pentylpyrrolidine-3-carboxylate;propan-2-yl 5-oxo-1-propylpyrrolidine-3-carboxylate?
The InChIKey is FUAVPUMUHGRUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3.C14H25NO3.C13H23NO3.C12H21NO3.C11H19NO3.C10H17NO3/c1-4-5-6-7-8-9-16-11-13(10-14(16)17)15(18)19-12(2)3;1-4-5-6-7-8-15-10-12(9-13(15)16)14(17)18-11(2)3;1-4-5-6-7-14-9-11(8-12(14)15)13(16)17-10(2)3;1-4-5-6-13-8-10(7-11(13)14)12(15)16-9(2)3;1-4-5-12-7-9(6-10(12)13)11(14)15-8(2)3;1-4-11-6-8(5-9(11)12)10(13)14-7(2)3/h12-13H,4-11H2,1-3H3;11-12H,4-10H2,1-3H3;10-11H,4-9H2,1-3H3;9-10H,4-8H2,1-3H3;8-9H,4-7H2,1-3H3;7-8H,4-6H2,1-3H3.
What are the key properties of propan-2-yl 1-butyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 1-ethyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 1-heptyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 1-hexyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 5-oxo-1-pentylpyrrolidine-3-carboxylate;propan-2-yl 5-oxo-1-propylpyrrolidine-3-carboxylate?
propan-2-yl 1-butyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 1-ethyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 1-heptyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 1-hexyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 5-oxo-1-pentylpyrrolidine-3-carboxylate;propan-2-yl 5-oxo-1-propylpyrrolidine-3-carboxylate has a molecular weight of 1405.90 g/mol, XLogP of 10.69, 33 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 1-butyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 1-ethyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 1-heptyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 1-hexyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 5-oxo-1-pentylpyrrolidine-3-carboxylate;propan-2-yl 5-oxo-1-propylpyrrolidine-3-carboxylate is sourced from PubChem (CID 158141937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).