ethyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]pyrrolidine-3-carboxylate

C15H26N2O4 — CID 71305550

IUPACethyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]pyrrolidine-3-carboxylate
SMILESCCOC(=O)C1CNCC1C1CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H26N2O4/c1-5-20-13(18)12-7-16-6-11(12)10-8-17(9-10)14(19)21-15(2,3)4/h10-12,16H,5-9H2,1-4H3
InChIKeyVXKSOCLESSRFOR-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.25
Rot. Bonds3

About ethyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]pyrrolidine-3-carboxylate

ethyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]pyrrolidine-3-carboxylate (PubChem CID 71305550) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is ethyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]pyrrolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]pyrrolidine-3-carboxylate
PubChem CID71305550
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Nameethyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]pyrrolidine-3-carboxylate
SMILESCCOC(=O)C1CNCC1C1CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H26N2O4/c1-5-20-13(18)12-7-16-6-11(12)10-8-17(9-10)14(19)21-15(2,3)4/h10-12,16H,5-9H2,1-4H3
InChIKeyVXKSOCLESSRFOR-UHFFFAOYSA-N
XLogP1.25
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-O-tert-butyl 3-O,4-O-diethyl (3S)-pyrrolidine-1,3,4-tricarboxylate
CID 91654881
1-O-tert-butyl 3-O-ethyl 4-cyclopropylpyrrolidine-1,3-dicarboxylate
CID 123854332
ethyl (3R,4S)-4-cyclopropylpyrrolidine-3-carboxylate
CID 131850205
tert-butyl (3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate
CID 6558904
(3R)-4-ethoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 143112271
(3R,4R)-4-ethoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylate
CID 34180169
ethyl (3R,4R)-4-cyclobutylpyrrolidine-3-carboxylate
CID 155904778
ethyl 4-(4-tert-butylcyclohexyl)pyrrolidine-3-carboxylate
CID 114486732
1-O-tert-butyl 3-O-ethyl (3R,4R)-4-ethenylpyrrolidine-1,3-dicarboxylate
CID 146382617
tert-butyl 3-[4-(difluoromethyl)pyrrolidin-3-yl]azetidine-1-carboxylate
CID 71305702
1-O-tert-butyl 3-O-ethyl (3R,4R)-4-(trifluoromethyl)pyrrolidine-1,3-dicarboxylate
CID 89456899
1-O-tert-butyl 3-O-ethyl (3S,4R)-4-hydroxypiperidine-1,3-dicarboxylate
CID 10492484

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]pyrrolidine-3-carboxylate?
The IUPAC name of ethyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]pyrrolidine-3-carboxylate (CID 71305550) is ethyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]pyrrolidine-3-carboxylate.
What is the SMILES notation for ethyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]pyrrolidine-3-carboxylate?
The canonical SMILES for ethyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]pyrrolidine-3-carboxylate is CCOC(=O)C1CNCC1C1CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of ethyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]pyrrolidine-3-carboxylate?
The InChIKey is VXKSOCLESSRFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-5-20-13(18)12-7-16-6-11(12)10-8-17(9-10)14(19)21-15(2,3)4/h10-12,16H,5-9H2,1-4H3.
What are the key properties of ethyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]pyrrolidine-3-carboxylate?
ethyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]pyrrolidine-3-carboxylate has a molecular weight of 298.38 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]pyrrolidine-3-carboxylate is sourced from PubChem (CID 71305550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).