1-[2-amino-1-(3-chlorophenyl)propyl]pyrrolidine-2-carboxamide

C14H20ClN3O — CID 55019931

IUPAC1-[2-amino-1-(3-chlorophenyl)propyl]pyrrolidine-2-carboxamide
SMILESCC(N)C(c1cccc(Cl)c1)N1CCCC1C(N)=O
InChIInChI=1S/C14H20ClN3O/c1-9(16)13(10-4-2-5-11(15)8-10)18-7-3-6-12(18)14(17)19/h2,4-5,8-9,12-13H,3,6-7,16H2,1H3,(H2,17,19)
InChIKeyOPLFGMJOLZTNOJ-UHFFFAOYSA-N
MW281.79 g/mol
LogP1.68
Rot. Bonds4

About 1-[2-amino-1-(3-chlorophenyl)propyl]pyrrolidine-2-carboxamide

1-[2-amino-1-(3-chlorophenyl)propyl]pyrrolidine-2-carboxamide (PubChem CID 55019931) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 1-[2-amino-1-(3-chlorophenyl)propyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-amino-1-(3-chlorophenyl)propyl]pyrrolidine-2-carboxamide
PubChem CID55019931
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name1-[2-amino-1-(3-chlorophenyl)propyl]pyrrolidine-2-carboxamide
SMILESCC(N)C(c1cccc(Cl)c1)N1CCCC1C(N)=O
InChIInChI=1S/C14H20ClN3O/c1-9(16)13(10-4-2-5-11(15)8-10)18-7-3-6-12(18)14(17)19/h2,4-5,8-9,12-13H,3,6-7,16H2,1H3,(H2,17,19)
InChIKeyOPLFGMJOLZTNOJ-UHFFFAOYSA-N
XLogP1.68
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-amino-1-phenylpropyl)pyrrolidine-2-carboxamide
CID 55017137
1-[2-amino-1-(4-methylphenyl)propyl]pyrrolidine-2-carboxamide
CID 55016470
1-[bis(3-chlorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 4650052
1-(2-amino-1-thiophen-2-ylpropyl)pyrrolidine-2-carboxamide
CID 55021902
1-(3-chlorophenyl)-1-(2-ethylpiperidin-1-yl)propan-2-amine
CID 55019306
1-[(1R)-1-phenylethyl]pyrrolidine-2-carboxamide
CID 140759748
[1-[2-amino-1-(3-chlorophenyl)propyl]-3-methylpyrrolidin-2-yl]methanol
CID 102777829
1-[(3-chlorophenyl)-(4-methylphenyl)methyl]piperidine-2-carboxylic acid
CID 5023473
1-(3-chlorophenyl)-1-(4-ethylpiperidin-1-yl)propan-2-amine
CID 55019889
1-(3-chlorophenyl)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-2-amine
CID 63171714
1-(3-chlorophenyl)-1-(4-methylpiperazin-1-yl)propan-2-amine
CID 55019304
1-[(3-chlorophenyl)-(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3923869

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-1-(3-chlorophenyl)propyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-amino-1-(3-chlorophenyl)propyl]pyrrolidine-2-carboxamide (CID 55019931) is 1-[2-amino-1-(3-chlorophenyl)propyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-amino-1-(3-chlorophenyl)propyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-amino-1-(3-chlorophenyl)propyl]pyrrolidine-2-carboxamide is CC(N)C(c1cccc(Cl)c1)N1CCCC1C(N)=O.
What is the InChIKey of 1-[2-amino-1-(3-chlorophenyl)propyl]pyrrolidine-2-carboxamide?
The InChIKey is OPLFGMJOLZTNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-9(16)13(10-4-2-5-11(15)8-10)18-7-3-6-12(18)14(17)19/h2,4-5,8-9,12-13H,3,6-7,16H2,1H3,(H2,17,19).
What are the key properties of 1-[2-amino-1-(3-chlorophenyl)propyl]pyrrolidine-2-carboxamide?
1-[2-amino-1-(3-chlorophenyl)propyl]pyrrolidine-2-carboxamide has a molecular weight of 281.79 g/mol, XLogP of 1.68, 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-(3-chlorophenyl)propyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 55019931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).