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

C98H181N5O15 — CID 160622792

IUPACpropan-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
SMILESCCCCCCCCCCCCCCCCN1CC(C(=O)OC(C)C)CC1=O.CCCCCCCCCCCCN1CC(C(=O)OC(C)C)CC1=O.CCCCCCCCCCCN1CC(C(=O)OC(C)C)CC1=O.CCCCCCCCCCN1CC(C(=O)OC(C)C)CC1=O.CCCCCCCCCN1CC(C(=O)OC(C)C)CC1=O
InChIInChI=1S/C24H45NO3.C20H37NO3.C19H35NO3.C18H33NO3.C17H31NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-20-22(19-23(25)26)24(27)28-21(2)3;1-4-5-6-7-8-9-10-11-12-13-14-21-16-18(15-19(21)22)20(23)24-17(2)3;1-4-5-6-7-8-9-10-11-12-13-20-15-17(14-18(20)21)19(22)23-16(2)3;1-4-5-6-7-8-9-10-11-12-19-14-16(13-17(19)20)18(21)22-15(2)3;1-4-5-6-7-8-9-10-11-18-13-15(12-16(18)19)17(20)21-14(2)3/h21-22H,4-20H2,1-3H3;17-18H,4-16H2,1-3H3;16-17H,4-15H2,1-3H3;15-16H,4-14H2,1-3H3;14-15H,4-13H2,1-3H3
InChIKeyRGXMJUZOSBJDND-UHFFFAOYSA-N
MW1669.55 g/mol
LogP22.76
Rot. Bonds63

About 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

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 (PubChem CID 160622792) has the molecular formula C98H181N5O15 and a molecular weight of 1669.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namepropan-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
PubChem CID160622792
Molecular FormulaC98H181N5O15
Molecular Weight1669.55 g/mol
Exact Mass1668.36
IUPAC Namepropan-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
SMILESCCCCCCCCCCCCCCCCN1CC(C(=O)OC(C)C)CC1=O.CCCCCCCCCCCCN1CC(C(=O)OC(C)C)CC1=O.CCCCCCCCCCCN1CC(C(=O)OC(C)C)CC1=O.CCCCCCCCCCN1CC(C(=O)OC(C)C)CC1=O.CCCCCCCCCN1CC(C(=O)OC(C)C)CC1=O
InChIInChI=1S/C24H45NO3.C20H37NO3.C19H35NO3.C18H33NO3.C17H31NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-20-22(19-23(25)26)24(27)28-21(2)3;1-4-5-6-7-8-9-10-11-12-13-14-21-16-18(15-19(21)22)20(23)24-17(2)3;1-4-5-6-7-8-9-10-11-12-13-20-15-17(14-18(20)21)19(22)23-16(2)3;1-4-5-6-7-8-9-10-11-12-19-14-16(13-17(19)20)18(21)22-15(2)3;1-4-5-6-7-8-9-10-11-18-13-15(12-16(18)19)17(20)21-14(2)3/h21-22H,4-20H2,1-3H3;17-18H,4-16H2,1-3H3;16-17H,4-15H2,1-3H3;15-16H,4-14H2,1-3H3;14-15H,4-13H2,1-3H3
InChIKeyRGXMJUZOSBJDND-UHFFFAOYSA-N
XLogP22.76
TPSA233.05 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds63
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001669.55
LogP ≤ 522.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

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-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 with MolForge

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Related Compounds

[3-[1-(2-Methylpropyl)-5-oxopyrrolidine-3-carbonyl]oxy-2,2-bis[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]oxymethyl]propyl] 1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxylate
CID 90759722
1-(2-Ethoxyethyl)-5-oxopyrrolidine-3-carboxylic acid;1-(3-ethoxypropyl)-5-oxopyrrolidine-3-carboxylic acid;1-heptan-4-yl-5-oxopyrrolidine-3-carboxylic acid;1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxylic acid;5-oxo-1-pentan-2-ylpyrrolidine-3-carboxylic acid;5-oxo-1-(2-propan-2-yloxyethyl)pyrrolidine-3-carboxylic acid;5-oxo-1-(2-propoxyethyl)pyrrolidine-3-carboxylic acid
CID 157092049
Propyl 1-heptyl-5-oxopyrrolidine-3-carboxylate;propyl 1-hexyl-5-oxopyrrolidine-3-carboxylate;propyl 1-nonyl-5-oxopyrrolidine-3-carboxylate;propyl 1-octyl-5-oxopyrrolidine-3-carboxylate;propyl 5-oxo-1-pentylpyrrolidine-3-carboxylate
CID 157127477
Butyl 1-methyl-5-oxopyrrolidine-3-carboxylate;hexyl 1-butyl-5-oxopyrrolidine-3-carboxylate;hexyl 1-methyl-5-oxopyrrolidine-3-carboxylate;methyl 1-tert-butyl-5-oxopyrrolidine-3-carboxylate;octyl 1-butyl-5-oxopyrrolidine-3-carboxylate
CID 157223338
Butyl 1-butyl-5-oxopyrrolidine-3-carboxylate;ethyl 1-butyl-5-oxopyrrolidine-3-carboxylate;hexyl 1-butyl-5-oxopyrrolidine-3-carboxylate;methyl 1-tert-butyl-5-oxopyrrolidine-3-carboxylate;octyl 1-butyl-5-oxopyrrolidine-3-carboxylate
CID 157303646
Hexyl 1-decyl-5-oxopyrrolidine-3-carboxylate;hexyl 1-heptyl-5-oxopyrrolidine-3-carboxylate;hexyl 1-hexadecyl-5-oxopyrrolidine-3-carboxylate;hexyl 1-nonyl-5-oxopyrrolidine-3-carboxylate
CID 157330933
Butyl 5-oxo-1-tetradecylpyrrolidine-3-carboxylate;carbon dioxide;hexyl 1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxylate;hexyl 1-hexyl-5-oxopyrrolidine-3-carboxylate;hexyl 1-methyl-5-oxopyrrolidine-3-carboxylate
CID 157354924
Butyl 1-methyl-5-oxopyrrolidine-3-carboxylate;1,3-dibutyl-4-decanoylpyrrolidin-2-one;ethyl 1,4-dimethyl-5-oxopyrrolidine-3-carboxylate;ethyl 2-methyl-5-oxo-1-pentylpyrrolidine-3-carboxylate;hexyl 1-methyl-5-oxopyrrolidine-3-carboxylate
CID 157432212
Propyl 1-decyl-5-oxopyrrolidine-3-carboxylate;propyl 1-dodecyl-5-oxopyrrolidine-3-carboxylate;propyl 1-hexadecyl-5-oxopyrrolidine-3-carboxylate;propyl 5-oxo-1-undecylpyrrolidine-3-carboxylate
CID 157485853
1-[2-[Bis[2-(4-carboxy-2-oxopyrrolidin-1-yl)ethyl]amino]ethyl]-5-oxopyrrolidine-3-carboxylic acid;1-[6-(4-carboxy-2-oxopyrrolidin-1-yl)hexyl]-5-oxopyrrolidine-3-carboxylic acid;1-decyl-5-oxopyrrolidine-3-carboxylic acid;1-(3-octoxypropyl)-5-oxopyrrolidine-3-carboxylic acid
CID 157544337
Pentyl 1-heptyl-5-oxopyrrolidine-3-carboxylate;pentyl 1-hexyl-5-oxopyrrolidine-3-carboxylate;pentyl 1-nonyl-5-oxopyrrolidine-3-carboxylate;pentyl 1-octyl-5-oxopyrrolidine-3-carboxylate;pentyl 5-oxo-1-pentylpyrrolidine-3-carboxylate
CID 157547043
butyl 1-butyl-5-oxopyrrolidine-3-carboxylate;butyl 5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate;ethyl 1-butyl-5-oxopyrrolidine-3-carboxylate;methyl 1-butyl-5-oxopyrrolidine-3-carboxylate;methyl (3S)-1-butyl-5-oxopyrrolidine-3-carboxylate;methyl (3S)-1-ethyl-5-oxopyrrolidine-3-carboxylate;sulfane
CID 157601008

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCCCCCCCCCCCCCN1CC(C(=O)OC(C)C)CC1=O.CCCCCCCCCCCCN1CC(C(=O)OC(C)C)CC1=O.CCCCCCCCCCCN1CC(C(=O)OC(C)C)CC1=O.CCCCCCCCCCN1CC(C(=O)OC(C)C)CC1=O.CCCCCCCCCN1CC(C(=O)OC(C)C)CC1=O.
What is the InChIKey of 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?
The InChIKey is RGXMJUZOSBJDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H45NO3.C20H37NO3.C19H35NO3.C18H33NO3.C17H31NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-20-22(19-23(25)26)24(27)28-21(2)3;1-4-5-6-7-8-9-10-11-12-13-14-21-16-18(15-19(21)22)20(23)24-17(2)3;1-4-5-6-7-8-9-10-11-12-13-20-15-17(14-18(20)21)19(22)23-16(2)3;1-4-5-6-7-8-9-10-11-12-19-14-16(13-17(19)20)18(21)22-15(2)3;1-4-5-6-7-8-9-10-11-18-13-15(12-16(18)19)17(20)21-14(2)3/h21-22H,4-20H2,1-3H3;17-18H,4-16H2,1-3H3;16-17H,4-15H2,1-3H3;15-16H,4-14H2,1-3H3;14-15H,4-13H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 1669.55 g/mol, XLogP of 22.76, 63 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160622792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).