1-[(1R)-1-phenylethyl]pyrrolidine-2-carboxamide

C13H18N2O — CID 140759748

IUPAC1-[(1R)-1-phenylethyl]pyrrolidine-2-carboxamide
SMILESC[C@H](c1ccccc1)N1CCCC1C(N)=O
InChIInChI=1S/C13H18N2O/c1-10(11-6-3-2-4-7-11)15-9-5-8-12(15)13(14)16/h2-4,6-7,10,12H,5,8-9H2,1H3,(H2,14,16)/t10-,12?/m1/s1
InChIKeyCYUPXXQOKDQROV-RWANSRKNSA-N
MW218.30 g/mol
LogP1.70
Rot. Bonds3

About 1-[(1R)-1-phenylethyl]pyrrolidine-2-carboxamide

1-[(1R)-1-phenylethyl]pyrrolidine-2-carboxamide (PubChem CID 140759748) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-[(1R)-1-phenylethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(1R)-1-phenylethyl]pyrrolidine-2-carboxamide
PubChem CID140759748
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-[(1R)-1-phenylethyl]pyrrolidine-2-carboxamide
SMILESC[C@H](c1ccccc1)N1CCCC1C(N)=O
InChIInChI=1S/C13H18N2O/c1-10(11-6-3-2-4-7-11)15-9-5-8-12(15)13(14)16/h2-4,6-7,10,12H,5,8-9H2,1H3,(H2,14,16)/t10-,12?/m1/s1
InChIKeyCYUPXXQOKDQROV-RWANSRKNSA-N
XLogP1.70
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-phenylethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[(1R)-1-phenylethyl]pyrrolidine-2-carboxamide (CID 140759748) is 1-[(1R)-1-phenylethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(1R)-1-phenylethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(1R)-1-phenylethyl]pyrrolidine-2-carboxamide is C[C@H](c1ccccc1)N1CCCC1C(N)=O.
What is the InChIKey of 1-[(1R)-1-phenylethyl]pyrrolidine-2-carboxamide?
The InChIKey is CYUPXXQOKDQROV-RWANSRKNSA-N. The full InChI is InChI=1S/C13H18N2O/c1-10(11-6-3-2-4-7-11)15-9-5-8-12(15)13(14)16/h2-4,6-7,10,12H,5,8-9H2,1H3,(H2,14,16)/t10-,12?/m1/s1.
What are the key properties of 1-[(1R)-1-phenylethyl]pyrrolidine-2-carboxamide?
1-[(1R)-1-phenylethyl]pyrrolidine-2-carboxamide has a molecular weight of 218.30 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-phenylethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 140759748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).