2-[2-(2-oxopyrrolidin-1-yl)ethoxycarbonyloxy]ethyl 2,2,3-trimethylbutanoate

C16H27NO6 — CID 130382780

IUPAC2-[2-(2-oxopyrrolidin-1-yl)ethoxycarbonyloxy]ethyl 2,2,3-trimethylbutanoate
SMILESCC(C)C(C)(C)C(=O)OCCOC(=O)OCCN1CCCC1=O
InChIInChI=1S/C16H27NO6/c1-12(2)16(3,4)14(19)21-10-11-23-15(20)22-9-8-17-7-5-6-13(17)18/h12H,5-11H2,1-4H3
InChIKeyAVUZHEWHHDNBST-UHFFFAOYSA-N
MW329.39 g/mol
LogP1.99
Rot. Bonds8

About 2-[2-(2-oxopyrrolidin-1-yl)ethoxycarbonyloxy]ethyl 2,2,3-trimethylbutanoate

2-[2-(2-oxopyrrolidin-1-yl)ethoxycarbonyloxy]ethyl 2,2,3-trimethylbutanoate (PubChem CID 130382780) has the molecular formula C16H27NO6 and a molecular weight of 329.39 g/mol. Its IUPAC name is 2-[2-(2-oxopyrrolidin-1-yl)ethoxycarbonyloxy]ethyl 2,2,3-trimethylbutanoate.

Molecular Properties

Compound Name2-[2-(2-oxopyrrolidin-1-yl)ethoxycarbonyloxy]ethyl 2,2,3-trimethylbutanoate
PubChem CID130382780
Molecular FormulaC16H27NO6
Molecular Weight329.39 g/mol
Exact Mass329.18
IUPAC Name2-[2-(2-oxopyrrolidin-1-yl)ethoxycarbonyloxy]ethyl 2,2,3-trimethylbutanoate
SMILESCC(C)C(C)(C)C(=O)OCCOC(=O)OCCN1CCCC1=O
InChIInChI=1S/C16H27NO6/c1-12(2)16(3,4)14(19)21-10-11-23-15(20)22-9-8-17-7-5-6-13(17)18/h12H,5-11H2,1-4H3
InChIKeyAVUZHEWHHDNBST-UHFFFAOYSA-N
XLogP1.99
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-oxopyrrolidin-1-yl)ethyl 2-chloro-2-methylbutanoate
CID 175623661
2-(2-oxopyrrolidin-1-yl)ethyl carbamate
CID 118350046
3-(2-oxopyrrolidin-1-yl)propyl 2,2-dimethylpropanoate
CID 123583092
2-(oxiran-2-yl)ethyl 2-(2-oxopyrrolidin-1-yl)ethyl carbonate
CID 88849448
1-(2-propan-2-yloxyethyl)pyrrolidin-2-one
CID 58735421
1,1-difluoro-2-oxo-2-[2-(2-oxopyrrolidin-1-yl)ethoxy]ethanesulfonate
CID 58520241
2-(2-oxopyrrolidin-1-yl)ethyl 4-tert-butylbenzoate
CID 2375129
7-O-[2-(2-oxopyrrolidin-1-yl)ethyl] 1-O-(2-phosphonooxyethyl) 6-tert-butyl-2,2,3,3,4,4,6-heptamethylheptanedioate
CID 134604808
3-(2-oxopyrrolidin-1-yl)propyl acetate
CID 71390643
1-ethenylazepan-2-one;methane;2-[2-(2-oxopyrrolidin-1-yl)ethoxycarbonyloxy]ethyl 2-ethyl-2-methyl-4-(2-oxoazepan-1-yl)pentanoate;2-[2-(2-oxopyrrolidin-1-yl)ethoxycarbonyloxy]ethyl 2-methylprop-2-enoate
CID 160906262
ethenyl acetate;methane;2-[2-(5-oxo-3,4-dihydro-2H-pyrrol-4-ylium-1-yl)ethoxycarbonyloxy]ethyl 2-methylprop-2-enoate;2-[2-(2-oxopyrrolidin-1-yl)ethoxycarbonyloxy]ethyl 4-acetyloxy-2-ethyl-2-methylpentanoate
CID 158728248
tert-butyl (3S)-3-amino-5-(2-oxopiperidin-1-yl)pentanoate
CID 129204552

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-oxopyrrolidin-1-yl)ethoxycarbonyloxy]ethyl 2,2,3-trimethylbutanoate?
The IUPAC name of 2-[2-(2-oxopyrrolidin-1-yl)ethoxycarbonyloxy]ethyl 2,2,3-trimethylbutanoate (CID 130382780) is 2-[2-(2-oxopyrrolidin-1-yl)ethoxycarbonyloxy]ethyl 2,2,3-trimethylbutanoate.
What is the SMILES notation for 2-[2-(2-oxopyrrolidin-1-yl)ethoxycarbonyloxy]ethyl 2,2,3-trimethylbutanoate?
The canonical SMILES for 2-[2-(2-oxopyrrolidin-1-yl)ethoxycarbonyloxy]ethyl 2,2,3-trimethylbutanoate is CC(C)C(C)(C)C(=O)OCCOC(=O)OCCN1CCCC1=O.
What is the InChIKey of 2-[2-(2-oxopyrrolidin-1-yl)ethoxycarbonyloxy]ethyl 2,2,3-trimethylbutanoate?
The InChIKey is AVUZHEWHHDNBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO6/c1-12(2)16(3,4)14(19)21-10-11-23-15(20)22-9-8-17-7-5-6-13(17)18/h12H,5-11H2,1-4H3.
What are the key properties of 2-[2-(2-oxopyrrolidin-1-yl)ethoxycarbonyloxy]ethyl 2,2,3-trimethylbutanoate?
2-[2-(2-oxopyrrolidin-1-yl)ethoxycarbonyloxy]ethyl 2,2,3-trimethylbutanoate has a molecular weight of 329.39 g/mol, XLogP of 1.99, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-oxopyrrolidin-1-yl)ethoxycarbonyloxy]ethyl 2,2,3-trimethylbutanoate is sourced from PubChem (CID 130382780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).