ethyl 4-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate

C16H27N3O4 — CID 51938346

IUPACethyl 4-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)[C@@H]2CC(=O)N(C(C)C)C2)CC1
InChIInChI=1S/C16H27N3O4/c1-4-23-16(22)18-7-5-13(6-8-18)17-15(21)12-9-14(20)19(10-12)11(2)3/h11-13H,4-10H2,1-3H3,(H,17,21)/t12-/m1/s1
InChIKeyBGGTUHHNMCGNCH-GFCCVEGCSA-N
MW325.41 g/mol
LogP0.98
Rot. Bonds4

About ethyl 4-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate

ethyl 4-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate (PubChem CID 51938346) has the molecular formula C16H27N3O4 and a molecular weight of 325.41 g/mol. Its IUPAC name is ethyl 4-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate
PubChem CID51938346
Molecular FormulaC16H27N3O4
Molecular Weight325.41 g/mol
Exact Mass325.20
IUPAC Nameethyl 4-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)[C@@H]2CC(=O)N(C(C)C)C2)CC1
InChIInChI=1S/C16H27N3O4/c1-4-23-16(22)18-7-5-13(6-8-18)17-15(21)12-9-14(20)19(10-12)11(2)3/h11-13H,4-10H2,1-3H3,(H,17,21)/t12-/m1/s1
InChIKeyBGGTUHHNMCGNCH-GFCCVEGCSA-N
XLogP0.98
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate (CID 51938346) is ethyl 4-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)[C@@H]2CC(=O)N(C(C)C)C2)CC1.
What is the InChIKey of ethyl 4-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate?
The InChIKey is BGGTUHHNMCGNCH-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H27N3O4/c1-4-23-16(22)18-7-5-13(6-8-18)17-15(21)12-9-14(20)19(10-12)11(2)3/h11-13H,4-10H2,1-3H3,(H,17,21)/t12-/m1/s1.
What are the key properties of ethyl 4-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate?
ethyl 4-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate has a molecular weight of 325.41 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 51938346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).