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

C14H20N2O2 — CID 72864774

IUPAC[(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-cyclobutylmethanone
SMILESCc1ccc([C@H]2CN(C(=O)C3CCC3)C[C@@H]2N)o1
InChIInChI=1S/C14H20N2O2/c1-9-5-6-13(18-9)11-7-16(8-12(11)15)14(17)10-3-2-4-10/h5-6,10-12H,2-4,7-8,15H2,1H3/t11-,12-/m0/s1
InChIKeyQCWJEJYZZJPTKG-RYUDHWBXSA-N
MW248.33 g/mol
LogP1.64
Rot. Bonds2

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

[(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-cyclobutylmethanone (PubChem CID 72864774) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is [(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-cyclobutylmethanone.

Molecular Properties

Compound Name[(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-cyclobutylmethanone
PubChem CID72864774
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name[(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-cyclobutylmethanone
SMILESCc1ccc([C@H]2CN(C(=O)C3CCC3)C[C@@H]2N)o1
InChIInChI=1S/C14H20N2O2/c1-9-5-6-13(18-9)11-7-16(8-12(11)15)14(17)10-3-2-4-10/h5-6,10-12H,2-4,7-8,15H2,1H3/t11-,12-/m0/s1
InChIKeyQCWJEJYZZJPTKG-RYUDHWBXSA-N
XLogP1.64
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-{(3S*,4R*)-1-[4-(5-methyl-2-furyl)benzoyl]-4-propyl-3-pyrrolidinyl}acetamide
CID 70716515
2-[4-(Furan-2-yl)-2-oxopyrrolidin-1-yl]butanamide
CID 9921054
N-[(3S*,4R*)-1-(2-furylmethyl)-4-(5-methyl-2-furyl)-3-pyrrolidinyl]acetamide
CID 70708926
N-{(3S*,4R*)-1-[3-(2-furyl)propanoyl]-4-propyl-3-pyrrolidinyl}methanesulfonamide
CID 70772487
N-[(3S*,4R*)-1-(2,4-difluorobenzyl)-4-(5-methyl-2-furyl)-3-pyrrolidinyl]acetamide
CID 70773384
(3S*,4R*)-3-(acetylamino)-N-ethyl-4-(5-methyl-2-furyl)-1-pyrrolidinecarboxamide
CID 70778148
N-{(3S*,4R*)-1-[2-(2-furyl)benzyl]-4-propyl-3-pyrrolidinyl}acetamide
CID 70784449
1-[(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-methylsulfanylethanone
CID 72842256
3-methoxy-N-[rel-(3R,4S)-1-[(2E)-2-methyl-2-buten-1-yl]-4-(5-methyl-2-furyl)-3-pyrrolidinyl]propanamide hydrochloride
CID 72858248
N-[(3R*,4S*)-1-(2-hydroxyethyl)-4-(5-methyl-2-furyl)-3-pyrrolidinyl]-2-(2-oxo-1-piperidinyl)acetamide
CID 72863207
N-[(3R*,4S*)-1-acetyl-4-(5-methyl-2-furyl)-3-pyrrolidinyl]-4-morpholinesulfonamide
CID 72881633
N-[(3S*,4R*)-1-(2,5-dimethyl-3-furoyl)-4-(5-methyl-2-furyl)pyrrolidin-3-yl]acetamide
CID 72885353

Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-cyclobutylmethanone?
The IUPAC name of [(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-cyclobutylmethanone (CID 72864774) is [(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-cyclobutylmethanone.
What is the SMILES notation for [(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-cyclobutylmethanone?
The canonical SMILES for [(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-cyclobutylmethanone is Cc1ccc([C@H]2CN(C(=O)C3CCC3)C[C@@H]2N)o1.
What is the InChIKey of [(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-cyclobutylmethanone?
The InChIKey is QCWJEJYZZJPTKG-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9-5-6-13(18-9)11-7-16(8-12(11)15)14(17)10-3-2-4-10/h5-6,10-12H,2-4,7-8,15H2,1H3/t11-,12-/m0/s1.
What are the key properties of [(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-cyclobutylmethanone?
[(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-cyclobutylmethanone has a molecular weight of 248.33 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-cyclobutylmethanone is sourced from PubChem (CID 72864774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).