1-(2-amino-2-phenylacetyl)-N-methylpyrrolidine-2-carboxamide

C14H19N3O2 — CID 60953274

IUPAC1-(2-amino-2-phenylacetyl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)C(N)c1ccccc1
InChIInChI=1S/C14H19N3O2/c1-16-13(18)11-8-5-9-17(11)14(19)12(15)10-6-3-2-4-7-10/h2-4,6-7,11-12H,5,8-9,15H2,1H3,(H,16,18)
InChIKeyJZFPDKMTLKXKLC-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.42
Rot. Bonds3

About 1-(2-amino-2-phenylacetyl)-N-methylpyrrolidine-2-carboxamide

1-(2-amino-2-phenylacetyl)-N-methylpyrrolidine-2-carboxamide (PubChem CID 60953274) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-(2-amino-2-phenylacetyl)-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-amino-2-phenylacetyl)-N-methylpyrrolidine-2-carboxamide
PubChem CID60953274
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1-(2-amino-2-phenylacetyl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)C(N)c1ccccc1
InChIInChI=1S/C14H19N3O2/c1-16-13(18)11-8-5-9-17(11)14(19)12(15)10-6-3-2-4-7-10/h2-4,6-7,11-12H,5,8-9,15H2,1H3,(H,16,18)
InChIKeyJZFPDKMTLKXKLC-UHFFFAOYSA-N
XLogP0.42
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-amino-3-phenylpropanoyl)-N-methylpyrrolidine-2-carboxamide
CID 60953494
1-[(2S)-2-amino-3-phenylpropanoyl]-N-methylpyrrolidine-2-carboxamide
CID 61164772
1-[(2S)-2-amino-3-phenylpropanoyl]-N-methylpiperidine-2-carboxamide
CID 61163933
1-(2-aminopropanoyl)-N-benzhydrylpyrrolidine-2-carboxamide
CID 166861237
2-amino-1-(2-methylpiperidin-1-yl)-2-phenylethanone
CID 24694891
1-(2-amino-2-phenylacetyl)-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119323511
(2R)-1-N-(2,2-diphenylethyl)-2-N-methylpiperidine-1,2-dicarboxamide
CID 126433792
2-amino-1-(2-azabicyclo[4.1.0]heptan-2-yl)-2-phenylethanone
CID 117045936
(2R)-2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-phenylethanone
CID 61409346
(2R)-2-amino-1-(2-cyclohexylpyrrolidin-1-yl)-2-phenylethanone
CID 61164920
1-N-benzyl-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 47085421
(2S)-1-[(2S)-2-aminopropanoyl]-N-phenylpyrrolidine-2-carboxamide
CID 22809937

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-phenylacetyl)-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-amino-2-phenylacetyl)-N-methylpyrrolidine-2-carboxamide (CID 60953274) is 1-(2-amino-2-phenylacetyl)-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-amino-2-phenylacetyl)-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-amino-2-phenylacetyl)-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1C(=O)C(N)c1ccccc1.
What is the InChIKey of 1-(2-amino-2-phenylacetyl)-N-methylpyrrolidine-2-carboxamide?
The InChIKey is JZFPDKMTLKXKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-16-13(18)11-8-5-9-17(11)14(19)12(15)10-6-3-2-4-7-10/h2-4,6-7,11-12H,5,8-9,15H2,1H3,(H,16,18).
What are the key properties of 1-(2-amino-2-phenylacetyl)-N-methylpyrrolidine-2-carboxamide?
1-(2-amino-2-phenylacetyl)-N-methylpyrrolidine-2-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-phenylacetyl)-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 60953274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).