1-(3-amino-3-phenylpropanoyl)-N-methylpyrrolidine-2-carboxamide

C15H21N3O2 — CID 60953494

IUPAC1-(3-amino-3-phenylpropanoyl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)CC(N)c1ccccc1
InChIInChI=1S/C15H21N3O2/c1-17-15(20)13-8-5-9-18(13)14(19)10-12(16)11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-10,16H2,1H3,(H,17,20)
InChIKeyFTTPLXFEAKZNPT-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.81
Rot. Bonds4

About 1-(3-amino-3-phenylpropanoyl)-N-methylpyrrolidine-2-carboxamide

1-(3-amino-3-phenylpropanoyl)-N-methylpyrrolidine-2-carboxamide (PubChem CID 60953494) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-(3-amino-3-phenylpropanoyl)-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(3-amino-3-phenylpropanoyl)-N-methylpyrrolidine-2-carboxamide
PubChem CID60953494
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-(3-amino-3-phenylpropanoyl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)CC(N)c1ccccc1
InChIInChI=1S/C15H21N3O2/c1-17-15(20)13-8-5-9-18(13)14(19)10-12(16)11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-10,16H2,1H3,(H,17,20)
InChIKeyFTTPLXFEAKZNPT-UHFFFAOYSA-N
XLogP0.81
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-amino-3-phenylpropanoyl)azepane-2-carboxylic acid
CID 64561727
1-(2-amino-2-phenylacetyl)-N-methylpyrrolidine-2-carboxamide
CID 60953274
1-(3-aminobutanoyl)-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119736640
(3R)-3-amino-1-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 124700162
(3S)-3-amino-1-[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 124702264
3-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 107217788
(3R)-3-amino-1-[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-phenylpropan-1-one
CID 125146845
1-[(2S)-2-amino-3-phenylpropanoyl]-N-methylpyrrolidine-2-carboxamide
CID 61164772
(2S)-1-[3-amino-3-(2-methylphenyl)propanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide;ethane
CID 176681444
1-(3,3-diphenylpropanoyl)pyrrolidine-2-carboxylic acid
CID 22665663
(2R)-1-N-(2,2-diphenylethyl)-2-N-methylpiperidine-1,2-dicarboxamide
CID 126433792
N-cyclopropyl-1-(3-phenylpentanoyl)pyrrolidine-2-carboxamide
CID 136523602

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-3-phenylpropanoyl)-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(3-amino-3-phenylpropanoyl)-N-methylpyrrolidine-2-carboxamide (CID 60953494) is 1-(3-amino-3-phenylpropanoyl)-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(3-amino-3-phenylpropanoyl)-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(3-amino-3-phenylpropanoyl)-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1C(=O)CC(N)c1ccccc1.
What is the InChIKey of 1-(3-amino-3-phenylpropanoyl)-N-methylpyrrolidine-2-carboxamide?
The InChIKey is FTTPLXFEAKZNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-17-15(20)13-8-5-9-18(13)14(19)10-12(16)11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-10,16H2,1H3,(H,17,20).
What are the key properties of 1-(3-amino-3-phenylpropanoyl)-N-methylpyrrolidine-2-carboxamide?
1-(3-amino-3-phenylpropanoyl)-N-methylpyrrolidine-2-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-3-phenylpropanoyl)-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 60953494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).