1-[(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-cyclobutylethanone

C15H22N2O2 — CID 72937422

IUPAC1-[(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-cyclobutylethanone
SMILESCc1ccc([C@H]2CN(C(=O)CC3CCC3)C[C@@H]2N)o1
InChIInChI=1S/C15H22N2O2/c1-10-5-6-14(19-10)12-8-17(9-13(12)16)15(18)7-11-3-2-4-11/h5-6,11-13H,2-4,7-9,16H2,1H3/t12-,13-/m0/s1
InChIKeyIEQMFYQSAKXXAV-STQMWFEESA-N
MW262.35 g/mol
LogP2.03
Rot. Bonds3

About 1-[(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-cyclobutylethanone

1-[(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-cyclobutylethanone (PubChem CID 72937422) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-cyclobutylethanone.

Molecular Properties

Compound Name1-[(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-cyclobutylethanone
PubChem CID72937422
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-[(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-cyclobutylethanone
SMILESCc1ccc([C@H]2CN(C(=O)CC3CCC3)C[C@@H]2N)o1
InChIInChI=1S/C15H22N2O2/c1-10-5-6-14(19-10)12-8-17(9-13(12)16)15(18)7-11-3-2-4-11/h5-6,11-13H,2-4,7-9,16H2,1H3/t12-,13-/m0/s1
InChIKeyIEQMFYQSAKXXAV-STQMWFEESA-N
XLogP2.03
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-cyclobutylethanone?
The IUPAC name of 1-[(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-cyclobutylethanone (CID 72937422) is 1-[(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-cyclobutylethanone.
What is the SMILES notation for 1-[(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-cyclobutylethanone?
The canonical SMILES for 1-[(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-cyclobutylethanone is Cc1ccc([C@H]2CN(C(=O)CC3CCC3)C[C@@H]2N)o1.
What is the InChIKey of 1-[(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-cyclobutylethanone?
The InChIKey is IEQMFYQSAKXXAV-STQMWFEESA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10-5-6-14(19-10)12-8-17(9-13(12)16)15(18)7-11-3-2-4-11/h5-6,11-13H,2-4,7-9,16H2,1H3/t12-,13-/m0/s1.
What are the key properties of 1-[(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-cyclobutylethanone?
1-[(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-cyclobutylethanone has a molecular weight of 262.35 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-cyclobutylethanone is sourced from PubChem (CID 72937422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).