butyl (2R,4S)-2-formyl-4-pyridin-2-yloxypyrrolidine-1-carboxylate

C15H20N2O4 — CID 175983996

IUPACbutyl (2R,4S)-2-formyl-4-pyridin-2-yloxypyrrolidine-1-carboxylate
SMILESCCCCOC(=O)N1C[C@@H](Oc2ccccn2)C[C@@H]1C=O
InChIInChI=1S/C15H20N2O4/c1-2-3-8-20-15(19)17-10-13(9-12(17)11-18)21-14-6-4-5-7-16-14/h4-7,11-13H,2-3,8-10H2,1H3/t12-,13+/m1/s1
InChIKeyMOBZEMILVLMRDF-OLZOCXBDSA-N
MW292.33 g/mol
LogP2.04
Rot. Bonds6

About butyl (2R,4S)-2-formyl-4-pyridin-2-yloxypyrrolidine-1-carboxylate

butyl (2R,4S)-2-formyl-4-pyridin-2-yloxypyrrolidine-1-carboxylate (PubChem CID 175983996) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is butyl (2R,4S)-2-formyl-4-pyridin-2-yloxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebutyl (2R,4S)-2-formyl-4-pyridin-2-yloxypyrrolidine-1-carboxylate
PubChem CID175983996
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Namebutyl (2R,4S)-2-formyl-4-pyridin-2-yloxypyrrolidine-1-carboxylate
SMILESCCCCOC(=O)N1C[C@@H](Oc2ccccn2)C[C@@H]1C=O
InChIInChI=1S/C15H20N2O4/c1-2-3-8-20-15(19)17-10-13(9-12(17)11-18)21-14-6-4-5-7-16-14/h4-7,11-13H,2-3,8-10H2,1H3/t12-,13+/m1/s1
InChIKeyMOBZEMILVLMRDF-OLZOCXBDSA-N
XLogP2.04
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

butyl 2-formyl-4-phenylmethoxypyrrolidine-1-carboxylate
CID 156500442
(2S,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-pyridin-2-yloxypyrrolidine-2-carboxylic acid
CID 169024987
9H-fluoren-9-ylmethyl (2S,4R)-2-formyl-4-propoxypyrrolidine-1-carboxylate
CID 176636794
2-butoxypyridine;carbonic acid
CID 159061563
N-ethyl-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 121195616
butyl 2-formylpyrrolidine-1-carboxylate
CID 54059986
2-methylpropyl 3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 121195558
1-(4-pyridin-2-yloxypiperidin-1-yl)ethanone
CID 71798593
butyl (4aR,7aS)-6,6-dioxo-1-(pyridine-2-carbonyl)-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxylate
CID 70727818
butyl 4-(pyridine-2-carbonylamino)piperidine-1-carboxylate
CID 108562788
3,3-diphenyl-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 121195473
3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 66927720

Frequently Asked Questions

What is the IUPAC name of butyl (2R,4S)-2-formyl-4-pyridin-2-yloxypyrrolidine-1-carboxylate?
The IUPAC name of butyl (2R,4S)-2-formyl-4-pyridin-2-yloxypyrrolidine-1-carboxylate (CID 175983996) is butyl (2R,4S)-2-formyl-4-pyridin-2-yloxypyrrolidine-1-carboxylate.
What is the SMILES notation for butyl (2R,4S)-2-formyl-4-pyridin-2-yloxypyrrolidine-1-carboxylate?
The canonical SMILES for butyl (2R,4S)-2-formyl-4-pyridin-2-yloxypyrrolidine-1-carboxylate is CCCCOC(=O)N1C[C@@H](Oc2ccccn2)C[C@@H]1C=O.
What is the InChIKey of butyl (2R,4S)-2-formyl-4-pyridin-2-yloxypyrrolidine-1-carboxylate?
The InChIKey is MOBZEMILVLMRDF-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-2-3-8-20-15(19)17-10-13(9-12(17)11-18)21-14-6-4-5-7-16-14/h4-7,11-13H,2-3,8-10H2,1H3/t12-,13+/m1/s1.
What are the key properties of butyl (2R,4S)-2-formyl-4-pyridin-2-yloxypyrrolidine-1-carboxylate?
butyl (2R,4S)-2-formyl-4-pyridin-2-yloxypyrrolidine-1-carboxylate has a molecular weight of 292.33 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl (2R,4S)-2-formyl-4-pyridin-2-yloxypyrrolidine-1-carboxylate is sourced from PubChem (CID 175983996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).