(2S)-2-[[benzyl(methyl)amino]methyl]pyrrolidine-1-carboxamide

C14H21N3O — CID 67649850

IUPAC(2S)-2-[[benzyl(methyl)amino]methyl]pyrrolidine-1-carboxamide
SMILESCN(Cc1ccccc1)C[C@@H]1CCCN1C(N)=O
InChIInChI=1S/C14H21N3O/c1-16(10-12-6-3-2-4-7-12)11-13-8-5-9-17(13)14(15)18/h2-4,6-7,13H,5,8-11H2,1H3,(H2,15,18)/t13-/m0/s1
InChIKeyABEWTUTWABGGSL-ZDUSSCGKSA-N
MW247.34 g/mol
LogP1.66
Rot. Bonds4

About (2S)-2-[[benzyl(methyl)amino]methyl]pyrrolidine-1-carboxamide

(2S)-2-[[benzyl(methyl)amino]methyl]pyrrolidine-1-carboxamide (PubChem CID 67649850) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is (2S)-2-[[benzyl(methyl)amino]methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-[[benzyl(methyl)amino]methyl]pyrrolidine-1-carboxamide
PubChem CID67649850
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name(2S)-2-[[benzyl(methyl)amino]methyl]pyrrolidine-1-carboxamide
SMILESCN(Cc1ccccc1)C[C@@H]1CCCN1C(N)=O
InChIInChI=1S/C14H21N3O/c1-16(10-12-6-3-2-4-7-12)11-13-8-5-9-17(13)14(15)18/h2-4,6-7,13H,5,8-11H2,1H3,(H2,15,18)/t13-/m0/s1
InChIKeyABEWTUTWABGGSL-ZDUSSCGKSA-N
XLogP1.66
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-[2-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]-3-methylbutan-1-one
CID 77144167
2-[(2R)-2-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanol
CID 96554121
benzyl 2-[[2-hydroxyethyl(methyl)amino]methyl]pyrrolidine-1-carboxylate
CID 66564283
2-amino-1-[2-[[benzyl(propan-2-yl)amino]methyl]piperidin-1-yl]ethanone
CID 66567140
2-[(2R)-2-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanamine
CID 96554161
2-[(2S)-2-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanamine
CID 96554160
2-[(2R)-2-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanol
CID 96554125
2-amino-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 62889985
2-amino-1-[2-[[benzyl(cyclopropyl)amino]methyl]pyrrolidin-1-yl]propan-1-one
CID 77144158
1-[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-2-[benzyl(methyl)amino]ethanone
CID 124592808
1-[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-2-[benzyl(methyl)amino]ethanone
CID 124592809
benzyl (2S)-2-[[(2-aminoacetyl)-methylamino]methyl]pyrrolidine-1-carboxylate
CID 66564793

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[benzyl(methyl)amino]methyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-[[benzyl(methyl)amino]methyl]pyrrolidine-1-carboxamide (CID 67649850) is (2S)-2-[[benzyl(methyl)amino]methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-[[benzyl(methyl)amino]methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-[[benzyl(methyl)amino]methyl]pyrrolidine-1-carboxamide is CN(Cc1ccccc1)C[C@@H]1CCCN1C(N)=O.
What is the InChIKey of (2S)-2-[[benzyl(methyl)amino]methyl]pyrrolidine-1-carboxamide?
The InChIKey is ABEWTUTWABGGSL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H21N3O/c1-16(10-12-6-3-2-4-7-12)11-13-8-5-9-17(13)14(15)18/h2-4,6-7,13H,5,8-11H2,1H3,(H2,15,18)/t13-/m0/s1.
What are the key properties of (2S)-2-[[benzyl(methyl)amino]methyl]pyrrolidine-1-carboxamide?
(2S)-2-[[benzyl(methyl)amino]methyl]pyrrolidine-1-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[benzyl(methyl)amino]methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 67649850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).