ethyl 1-[(1R,2S,4S)-2-hydroxy-4-methoxycarbonylcyclopentyl]piperidine-4-carboxylate

C15H25NO5 — CID 95786112

IUPACethyl 1-[(1R,2S,4S)-2-hydroxy-4-methoxycarbonylcyclopentyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN([C@@H]2C[C@H](C(=O)OC)C[C@@H]2O)CC1
InChIInChI=1S/C15H25NO5/c1-3-21-15(19)10-4-6-16(7-5-10)12-8-11(9-13(12)17)14(18)20-2/h10-13,17H,3-9H2,1-2H3/t11-,12+,13-/m0/s1
InChIKeyCPKFIAQAMFUTGG-XQQFMLRXSA-N
MW299.37 g/mol
LogP0.57
Rot. Bonds4

About ethyl 1-[(1R,2S,4S)-2-hydroxy-4-methoxycarbonylcyclopentyl]piperidine-4-carboxylate

ethyl 1-[(1R,2S,4S)-2-hydroxy-4-methoxycarbonylcyclopentyl]piperidine-4-carboxylate (PubChem CID 95786112) has the molecular formula C15H25NO5 and a molecular weight of 299.37 g/mol. Its IUPAC name is ethyl 1-[(1R,2S,4S)-2-hydroxy-4-methoxycarbonylcyclopentyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(1R,2S,4S)-2-hydroxy-4-methoxycarbonylcyclopentyl]piperidine-4-carboxylate
PubChem CID95786112
Molecular FormulaC15H25NO5
Molecular Weight299.37 g/mol
Exact Mass299.17
IUPAC Nameethyl 1-[(1R,2S,4S)-2-hydroxy-4-methoxycarbonylcyclopentyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN([C@@H]2C[C@H](C(=O)OC)C[C@@H]2O)CC1
InChIInChI=1S/C15H25NO5/c1-3-21-15(19)10-4-6-16(7-5-10)12-8-11(9-13(12)17)14(18)20-2/h10-13,17H,3-9H2,1-2H3/t11-,12+,13-/m0/s1
InChIKeyCPKFIAQAMFUTGG-XQQFMLRXSA-N
XLogP0.57
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(1R,2S,4S)-2-hydroxy-4-methoxycarbonylcyclopentyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(1R,2S,4S)-2-hydroxy-4-methoxycarbonylcyclopentyl]piperidine-4-carboxylate (CID 95786112) is ethyl 1-[(1R,2S,4S)-2-hydroxy-4-methoxycarbonylcyclopentyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(1R,2S,4S)-2-hydroxy-4-methoxycarbonylcyclopentyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(1R,2S,4S)-2-hydroxy-4-methoxycarbonylcyclopentyl]piperidine-4-carboxylate is CCOC(=O)C1CCN([C@@H]2C[C@H](C(=O)OC)C[C@@H]2O)CC1.
What is the InChIKey of ethyl 1-[(1R,2S,4S)-2-hydroxy-4-methoxycarbonylcyclopentyl]piperidine-4-carboxylate?
The InChIKey is CPKFIAQAMFUTGG-XQQFMLRXSA-N. The full InChI is InChI=1S/C15H25NO5/c1-3-21-15(19)10-4-6-16(7-5-10)12-8-11(9-13(12)17)14(18)20-2/h10-13,17H,3-9H2,1-2H3/t11-,12+,13-/m0/s1.
What are the key properties of ethyl 1-[(1R,2S,4S)-2-hydroxy-4-methoxycarbonylcyclopentyl]piperidine-4-carboxylate?
ethyl 1-[(1R,2S,4S)-2-hydroxy-4-methoxycarbonylcyclopentyl]piperidine-4-carboxylate has a molecular weight of 299.37 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(1R,2S,4S)-2-hydroxy-4-methoxycarbonylcyclopentyl]piperidine-4-carboxylate is sourced from PubChem (CID 95786112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).