ethyl 1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]piperidine-3-carboxylate

C18H30N2O5 — CID 110677869

IUPACethyl 1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H30N2O5/c1-5-24-16(22)13-8-6-10-19(12-13)15(21)14-9-7-11-20(14)17(23)25-18(2,3)4/h13-14H,5-12H2,1-4H3/t13?,14-/m0/s1
InChIKeyQRWRPVMMSQHTQD-KZUDCZAMSA-N
MW354.45 g/mol
LogP2.19
Rot. Bonds3

About ethyl 1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]piperidine-3-carboxylate

ethyl 1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]piperidine-3-carboxylate (PubChem CID 110677869) has the molecular formula C18H30N2O5 and a molecular weight of 354.45 g/mol. Its IUPAC name is ethyl 1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]piperidine-3-carboxylate
PubChem CID110677869
Molecular FormulaC18H30N2O5
Molecular Weight354.45 g/mol
Exact Mass354.22
IUPAC Nameethyl 1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H30N2O5/c1-5-24-16(22)13-8-6-10-19(12-13)15(21)14-9-7-11-20(14)17(23)25-18(2,3)4/h13-14H,5-12H2,1-4H3/t13?,14-/m0/s1
InChIKeyQRWRPVMMSQHTQD-KZUDCZAMSA-N
XLogP2.19
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]piperidine-3-carboxylate with MolForge

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Related Compounds

tert-butyl (2S)-2-(azepane-1-carbonyl)pyrrolidine-1-carboxylate
CID 10469863
benzyl 1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]piperidine-3-carboxylate
CID 67755128
1-O-tert-butyl 3-O-ethyl (3R)-piperidine-1,3-dicarboxylate;ethyl (3R)-piperidine-3-carboxylate
CID 158843375
2-O-tert-butyl 1-O-ethyl (2R)-pyrrolidine-1,2-dicarboxylate
CID 66902636
methyl 1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]piperidine-4-carboxylate
CID 94014523
1-O-tert-butyl 2-O-ethyl (2R)-azetidine-1,2-dicarboxylate
CID 86335614
ethyl 1-[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]piperidine-3-carboxylate
CID 55363206
tert-butyl 2-[3-(1,3-dioxolan-2-yl)piperidine-1-carbonyl]pyrrolidine-1-carboxylate
CID 56547651
3-O-ethyl 1-O-methyl (3S)-piperidine-1,3-dicarboxylate
CID 51681874
1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;propane
CID 144591642
ethyl 1-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]piperidine-3-carboxylate
CID 142693827
tert-butyl (2R)-2-[4-(dimethylamino)piperidine-1-carbonyl]pyrrolidine-1-carboxylate
CID 143899487

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]piperidine-3-carboxylate (CID 110677869) is ethyl 1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1.
What is the InChIKey of ethyl 1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]piperidine-3-carboxylate?
The InChIKey is QRWRPVMMSQHTQD-KZUDCZAMSA-N. The full InChI is InChI=1S/C18H30N2O5/c1-5-24-16(22)13-8-6-10-19(12-13)15(21)14-9-7-11-20(14)17(23)25-18(2,3)4/h13-14H,5-12H2,1-4H3/t13?,14-/m0/s1.
What are the key properties of ethyl 1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]piperidine-3-carboxylate?
ethyl 1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]piperidine-3-carboxylate has a molecular weight of 354.45 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]piperidine-3-carboxylate is sourced from PubChem (CID 110677869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).