1-[2-amino-1-(4-methylphenyl)propyl]pyrrolidine-2-carboxamide

C15H23N3O — CID 55016470

IUPAC1-[2-amino-1-(4-methylphenyl)propyl]pyrrolidine-2-carboxamide
SMILESCc1ccc(C(C(C)N)N2CCCC2C(N)=O)cc1
InChIInChI=1S/C15H23N3O/c1-10-5-7-12(8-6-10)14(11(2)16)18-9-3-4-13(18)15(17)19/h5-8,11,13-14H,3-4,9,16H2,1-2H3,(H2,17,19)
InChIKeyGGNMLXNHSPCWAT-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.33
Rot. Bonds4

About 1-[2-amino-1-(4-methylphenyl)propyl]pyrrolidine-2-carboxamide

1-[2-amino-1-(4-methylphenyl)propyl]pyrrolidine-2-carboxamide (PubChem CID 55016470) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[2-amino-1-(4-methylphenyl)propyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-amino-1-(4-methylphenyl)propyl]pyrrolidine-2-carboxamide
PubChem CID55016470
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-[2-amino-1-(4-methylphenyl)propyl]pyrrolidine-2-carboxamide
SMILESCc1ccc(C(C(C)N)N2CCCC2C(N)=O)cc1
InChIInChI=1S/C15H23N3O/c1-10-5-7-12(8-6-10)14(11(2)16)18-9-3-4-13(18)15(17)19/h5-8,11,13-14H,3-4,9,16H2,1-2H3,(H2,17,19)
InChIKeyGGNMLXNHSPCWAT-UHFFFAOYSA-N
XLogP1.33
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.33
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-(3-chlorophenyl)propyl]pyrrolidine-2-carboxamide
CID 55019931
1-(2-amino-1-thiophen-2-ylpropyl)pyrrolidine-2-carboxamide
CID 55021902
1-[(1R)-1-phenylethyl]pyrrolidine-2-carboxamide
CID 140759748
1-[1-(2,5-dimethylphenyl)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
CID 60680101
1-[1-[2-amino-1-(4-methylphenyl)propyl]piperidin-4-yl]ethanol
CID 106835504
1-butan-2-ylpyrrolidine-2-carboxamide
CID 131201186
1-[(4-methylphenyl)-(4-methylsulfanylphenyl)methyl]piperidine-2-carboxylic acid
CID 5134803
(2S)-1-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]piperidine-2-carboxamide;hydrochloride
CID 164897606
1-(3,4-dimethylpiperazin-1-yl)-1-(4-methylphenyl)propan-2-amine
CID 63603789
1-[(4-ethylphenyl)-(4-methylphenyl)methyl]piperidine-2-carboxylic acid
CID 4011103
(2R)-1-[2-amino-2-(4-methylphenyl)acetyl]piperidine-2-carboxylic acid
CID 106312491

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-1-(4-methylphenyl)propyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-amino-1-(4-methylphenyl)propyl]pyrrolidine-2-carboxamide (CID 55016470) is 1-[2-amino-1-(4-methylphenyl)propyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-amino-1-(4-methylphenyl)propyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-amino-1-(4-methylphenyl)propyl]pyrrolidine-2-carboxamide is Cc1ccc(C(C(C)N)N2CCCC2C(N)=O)cc1.
What is the InChIKey of 1-[2-amino-1-(4-methylphenyl)propyl]pyrrolidine-2-carboxamide?
The InChIKey is GGNMLXNHSPCWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-10-5-7-12(8-6-10)14(11(2)16)18-9-3-4-13(18)15(17)19/h5-8,11,13-14H,3-4,9,16H2,1-2H3,(H2,17,19).
What are the key properties of 1-[2-amino-1-(4-methylphenyl)propyl]pyrrolidine-2-carboxamide?
1-[2-amino-1-(4-methylphenyl)propyl]pyrrolidine-2-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 1.33, 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-(4-methylphenyl)propyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 55016470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).