1-(2-amino-1-phenylpropyl)pyrrolidine-2-carboxamide

C14H21N3O — CID 55017137

IUPAC1-(2-amino-1-phenylpropyl)pyrrolidine-2-carboxamide
SMILESCC(N)C(c1ccccc1)N1CCCC1C(N)=O
InChIInChI=1S/C14H21N3O/c1-10(15)13(11-6-3-2-4-7-11)17-9-5-8-12(17)14(16)18/h2-4,6-7,10,12-13H,5,8-9,15H2,1H3,(H2,16,18)
InChIKeySYXAAPGWNSRAFV-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.02
Rot. Bonds4

About 1-(2-amino-1-phenylpropyl)pyrrolidine-2-carboxamide

1-(2-amino-1-phenylpropyl)pyrrolidine-2-carboxamide (PubChem CID 55017137) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(2-amino-1-phenylpropyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-amino-1-phenylpropyl)pyrrolidine-2-carboxamide
PubChem CID55017137
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-(2-amino-1-phenylpropyl)pyrrolidine-2-carboxamide
SMILESCC(N)C(c1ccccc1)N1CCCC1C(N)=O
InChIInChI=1S/C14H21N3O/c1-10(15)13(11-6-3-2-4-7-11)17-9-5-8-12(17)14(16)18/h2-4,6-7,10,12-13H,5,8-9,15H2,1H3,(H2,16,18)
InChIKeySYXAAPGWNSRAFV-UHFFFAOYSA-N
XLogP1.02
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-amino-1-(4-methylphenyl)propyl]pyrrolidine-2-carboxamide
CID 55016470
1-[(1R)-1-phenylethyl]pyrrolidine-2-carboxamide
CID 140759748
1-[2-amino-1-(3-chlorophenyl)propyl]pyrrolidine-2-carboxamide
CID 55019931
1-(2-amino-1-thiophen-2-ylpropyl)pyrrolidine-2-carboxamide
CID 55021902
1-[(4-methyl-1,3-thiazol-5-yl)-phenylmethyl]pyrrolidine-2-carboxamide
CID 175959995
1-(2-amino-1-phenylpropyl)piperidin-3-ol
CID 55017645
(2S)-1-[(2S)-1-hydroxy-4-methyl-1,1-diphenylpentan-2-yl]pyrrolidine-2-carboxamide
CID 156588051
methyl (2S)-1-benzhydrylpyrrolidine-2-carboxylate
CID 163261886
1-(2-cyano-1-phenylethyl)piperidine-2-carboxamide
CID 55117539
1-(3-amino-2-methyl-3-phenylpropanoyl)piperidine-2-carboxamide;hydrochloride
CID 119685223
1-(1-phenylethyl)aziridine-2-carboxamide
CID 3891776
4-(2-amino-1-phenylpropyl)-N-ethylmorpholine-3-carboxamide
CID 83097771

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-1-phenylpropyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-amino-1-phenylpropyl)pyrrolidine-2-carboxamide (CID 55017137) is 1-(2-amino-1-phenylpropyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-amino-1-phenylpropyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-amino-1-phenylpropyl)pyrrolidine-2-carboxamide is CC(N)C(c1ccccc1)N1CCCC1C(N)=O.
What is the InChIKey of 1-(2-amino-1-phenylpropyl)pyrrolidine-2-carboxamide?
The InChIKey is SYXAAPGWNSRAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10(15)13(11-6-3-2-4-7-11)17-9-5-8-12(17)14(16)18/h2-4,6-7,10,12-13H,5,8-9,15H2,1H3,(H2,16,18).
What are the key properties of 1-(2-amino-1-phenylpropyl)pyrrolidine-2-carboxamide?
1-(2-amino-1-phenylpropyl)pyrrolidine-2-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-1-phenylpropyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 55017137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).