methyl (2S,4S)-4-methoxy-1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-2-carboxylate

C14H24N2O4 — CID 97340256

IUPACmethyl (2S,4S)-4-methoxy-1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-2-carboxylate
SMILESCOC(=O)[C@@H]1C[C@@H](OC)CCN1CCN1CCCC1=O
InChIInChI=1S/C14H24N2O4/c1-19-11-5-7-15(12(10-11)14(18)20-2)8-9-16-6-3-4-13(16)17/h11-12H,3-10H2,1-2H3/t11-,12-/m0/s1
InChIKeyGHMFAZBYMHKLBW-RYUDHWBXSA-N
MW284.36 g/mol
LogP0.26
Rot. Bonds5

About methyl (2S,4S)-4-methoxy-1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-2-carboxylate

methyl (2S,4S)-4-methoxy-1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-2-carboxylate (PubChem CID 97340256) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is methyl (2S,4S)-4-methoxy-1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,4S)-4-methoxy-1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-2-carboxylate
PubChem CID97340256
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Namemethyl (2S,4S)-4-methoxy-1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-2-carboxylate
SMILESCOC(=O)[C@@H]1C[C@@H](OC)CCN1CCN1CCCC1=O
InChIInChI=1S/C14H24N2O4/c1-19-11-5-7-15(12(10-11)14(18)20-2)8-9-16-6-3-4-13(16)17/h11-12H,3-10H2,1-2H3/t11-,12-/m0/s1
InChIKeyGHMFAZBYMHKLBW-RYUDHWBXSA-N
XLogP0.26
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 47328029
methyl 1-[2-(1-methylpiperidin-4-yl)ethyl]azetidine-2-carboxylate
CID 114517132
methyl 4-[2-(2-oxopyrrolidin-1-yl)acetyl]morpholine-3-carboxylate
CID 115670168
methyl 1-[2-(2-oxopyrrolidin-1-yl)acetyl]pyrrolidine-3-carboxylate
CID 112733697
methyl 4-hydroxy-1-[2-(2-oxoazepan-1-yl)acetyl]pyrrolidine-2-carboxylate
CID 115971295
1-(22-hydroxydocosyl)pyrrolidin-2-one
CID 151557638
1-dodecylpyrrolidin-2-one
CID 70222371
1-hexylpyrrolidin-2-one
CID 158904818
methyl 1-(hydroxymethyl)-5-oxopyrrolidine-2-carboxylate
CID 13458635
methyl 1-ethyl-5-oxopyrrolidine-2-carboxylate
CID 67459237
2-(2-oxopyrrolidin-1-yl)ethyl 7-oxabicyclo[2.2.1]heptane-2-carboxylate
CID 58935228
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)propanamide
CID 110125258

Frequently Asked Questions

What is the IUPAC name of methyl (2S,4S)-4-methoxy-1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-2-carboxylate?
The IUPAC name of methyl (2S,4S)-4-methoxy-1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-2-carboxylate (CID 97340256) is methyl (2S,4S)-4-methoxy-1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl (2S,4S)-4-methoxy-1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-2-carboxylate?
The canonical SMILES for methyl (2S,4S)-4-methoxy-1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-2-carboxylate is COC(=O)[C@@H]1C[C@@H](OC)CCN1CCN1CCCC1=O.
What is the InChIKey of methyl (2S,4S)-4-methoxy-1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-2-carboxylate?
The InChIKey is GHMFAZBYMHKLBW-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-19-11-5-7-15(12(10-11)14(18)20-2)8-9-16-6-3-4-13(16)17/h11-12H,3-10H2,1-2H3/t11-,12-/m0/s1.
What are the key properties of methyl (2S,4S)-4-methoxy-1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-2-carboxylate?
methyl (2S,4S)-4-methoxy-1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-2-carboxylate has a molecular weight of 284.36 g/mol, XLogP of 0.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,4S)-4-methoxy-1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-2-carboxylate is sourced from PubChem (CID 97340256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).