1-[2-amino-1-(furan-2-yl)propyl]-N,3-dimethylpyrrolidine-3-carboxamide

C14H23N3O2 — CID 106317794

IUPAC1-[2-amino-1-(furan-2-yl)propyl]-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(C(c2ccco2)C(C)N)C1
InChIInChI=1S/C14H23N3O2/c1-10(15)12(11-5-4-8-19-11)17-7-6-14(2,9-17)13(18)16-3/h4-5,8,10,12H,6-7,9,15H2,1-3H3,(H,16,18)
InChIKeyRTITYRHRPSPESW-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.13
Rot. Bonds4

About 1-[2-amino-1-(furan-2-yl)propyl]-N,3-dimethylpyrrolidine-3-carboxamide

1-[2-amino-1-(furan-2-yl)propyl]-N,3-dimethylpyrrolidine-3-carboxamide (PubChem CID 106317794) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[2-amino-1-(furan-2-yl)propyl]-N,3-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-amino-1-(furan-2-yl)propyl]-N,3-dimethylpyrrolidine-3-carboxamide
PubChem CID106317794
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-[2-amino-1-(furan-2-yl)propyl]-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(C(c2ccco2)C(C)N)C1
InChIInChI=1S/C14H23N3O2/c1-10(15)12(11-5-4-8-19-11)17-7-6-14(2,9-17)13(18)16-3/h4-5,8,10,12H,6-7,9,15H2,1-3H3,(H,16,18)
InChIKeyRTITYRHRPSPESW-UHFFFAOYSA-N
XLogP1.13
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-1-(furan-2-yl)propyl]-N,3-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-amino-1-(furan-2-yl)propyl]-N,3-dimethylpyrrolidine-3-carboxamide (CID 106317794) is 1-[2-amino-1-(furan-2-yl)propyl]-N,3-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-amino-1-(furan-2-yl)propyl]-N,3-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-amino-1-(furan-2-yl)propyl]-N,3-dimethylpyrrolidine-3-carboxamide is CNC(=O)C1(C)CCN(C(c2ccco2)C(C)N)C1.
What is the InChIKey of 1-[2-amino-1-(furan-2-yl)propyl]-N,3-dimethylpyrrolidine-3-carboxamide?
The InChIKey is RTITYRHRPSPESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10(15)12(11-5-4-8-19-11)17-7-6-14(2,9-17)13(18)16-3/h4-5,8,10,12H,6-7,9,15H2,1-3H3,(H,16,18).
What are the key properties of 1-[2-amino-1-(furan-2-yl)propyl]-N,3-dimethylpyrrolidine-3-carboxamide?
1-[2-amino-1-(furan-2-yl)propyl]-N,3-dimethylpyrrolidine-3-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-1-(furan-2-yl)propyl]-N,3-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106317794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).