[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(5-methoxyfuran-2-yl)methanone

C13H20N2O3 — CID 72850063

IUPAC[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(5-methoxyfuran-2-yl)methanone
SMILESCCC[C@H]1CN(C(=O)c2ccc(OC)o2)C[C@@H]1N
InChIInChI=1S/C13H20N2O3/c1-3-4-9-7-15(8-10(9)14)13(16)11-5-6-12(17-2)18-11/h5-6,9-10H,3-4,7-8,14H2,1-2H3/t9-,10-/m0/s1
InChIKeyXHSGYILUFPDXOS-UWVGGRQHSA-N
MW252.31 g/mol
LogP1.49
Rot. Bonds4

About [(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(5-methoxyfuran-2-yl)methanone

[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(5-methoxyfuran-2-yl)methanone (PubChem CID 72850063) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is [(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(5-methoxyfuran-2-yl)methanone.

Molecular Properties

Compound Name[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(5-methoxyfuran-2-yl)methanone
PubChem CID72850063
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(5-methoxyfuran-2-yl)methanone
SMILESCCC[C@H]1CN(C(=O)c2ccc(OC)o2)C[C@@H]1N
InChIInChI=1S/C13H20N2O3/c1-3-4-9-7-15(8-10(9)14)13(16)11-5-6-12(17-2)18-11/h5-6,9-10H,3-4,7-8,14H2,1-2H3/t9-,10-/m0/s1
InChIKeyXHSGYILUFPDXOS-UWVGGRQHSA-N
XLogP1.49
TPSA68.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S,4R)-3-amino-4-propylpyrrolidin-1-yl]-(5-methoxyfuran-2-yl)methanone
CID 133133676
ethyl 4-[1-(5-methoxyfuran-2-carbonyl)piperidin-3-yl]piperazine-1-carboxylate
CID 45185738
(5-methoxyfuran-2-yl)-[2-(4-methylpentyl)morpholin-4-yl]methanone
CID 45182494
N-[[(3S,4S)-3-hydroxy-1-(5-methoxyfuran-2-carbonyl)piperidin-4-yl]methyl]pyrrolidine-1-carboxamide
CID 56896856
(9aR)-2-(5-methoxyfuran-2-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
CID 95143432
2-(5-methoxyfuran-2-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
CID 50980143
1-[(3S,4R)-3-amino-4-propylpyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone
CID 133122728
[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-[5-(hydroxymethyl)furan-2-yl]methanone
CID 133138412
[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 72869169
[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(2,6-dimethyl-4-pyridinyl)methanone
CID 72904462
1-(4-benzylpiperidin-1-yl)-3-[1-(5-methoxyfuran-2-carbonyl)piperidin-4-yl]propan-1-one
CID 42593363
(5-methoxyfuran-2-yl)-[2-(naphthalen-1-ylmethyl)morpholin-4-yl]methanone
CID 45245517

Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(5-methoxyfuran-2-yl)methanone?
The IUPAC name of [(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(5-methoxyfuran-2-yl)methanone (CID 72850063) is [(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(5-methoxyfuran-2-yl)methanone.
What is the SMILES notation for [(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(5-methoxyfuran-2-yl)methanone?
The canonical SMILES for [(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(5-methoxyfuran-2-yl)methanone is CCC[C@H]1CN(C(=O)c2ccc(OC)o2)C[C@@H]1N.
What is the InChIKey of [(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(5-methoxyfuran-2-yl)methanone?
The InChIKey is XHSGYILUFPDXOS-UWVGGRQHSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-3-4-9-7-15(8-10(9)14)13(16)11-5-6-12(17-2)18-11/h5-6,9-10H,3-4,7-8,14H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of [(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(5-methoxyfuran-2-yl)methanone?
[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(5-methoxyfuran-2-yl)methanone has a molecular weight of 252.31 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(5-methoxyfuran-2-yl)methanone is sourced from PubChem (CID 72850063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).