4-amino-1-[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]butan-1-one

C15H21ClN2O — CID 124699273

IUPAC4-amino-1-[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]butan-1-one
SMILESNCCCC(=O)N1CCC[C@H]1Cc1ccccc1Cl
InChIInChI=1S/C15H21ClN2O/c16-14-7-2-1-5-12(14)11-13-6-4-10-18(13)15(19)8-3-9-17/h1-2,5,7,13H,3-4,6,8-11,17H2/t13-/m0/s1
InChIKeyGGWJQAMMYZMPMA-ZDUSSCGKSA-N
MW280.80 g/mol
LogP2.61
Rot. Bonds5

About 4-amino-1-[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]butan-1-one

4-amino-1-[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]butan-1-one (PubChem CID 124699273) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 4-amino-1-[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-amino-1-[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]butan-1-one
PubChem CID124699273
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name4-amino-1-[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]butan-1-one
SMILESNCCCC(=O)N1CCC[C@H]1Cc1ccccc1Cl
InChIInChI=1S/C15H21ClN2O/c16-14-7-2-1-5-12(14)11-13-6-4-10-18(13)15(19)8-3-9-17/h1-2,5,7,13H,3-4,6,8-11,17H2/t13-/m0/s1
InChIKeyGGWJQAMMYZMPMA-ZDUSSCGKSA-N
XLogP2.61
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2S)-2-(aminomethyl)piperidin-1-yl]-3-(2-chlorophenyl)propan-1-one
CID 124573392
7-amino-1-(2-benzylpyrrolidin-1-yl)heptan-1-one
CID 60940295
(2S)-2-amino-4-[2-[(2-chlorophenyl)methyl]azepan-1-yl]-4-oxobutanoic acid
CID 166270454
1-[(2R)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone
CID 124685548
1-[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-3-(1,3-dimethylpyrazol-4-yl)propan-1-one
CID 95350150
1-[2-(bromomethyl)pyrrolidin-1-yl]-2-(2-chlorophenyl)ethanone
CID 80678246
4-[(2R)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]butanoic acid
CID 124564416
4-[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]butanoic acid
CID 124564415
1-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-2-morpholin-2-ylethanone
CID 122148242
1-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-2-thiomorpholin-3-ylethanone
CID 119937739
1-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 138996722
N-[[1-(4-aminobutanoyl)piperidin-2-yl]methyl]benzamide;hydrochloride
CID 119313514

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]butan-1-one?
The IUPAC name of 4-amino-1-[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]butan-1-one (CID 124699273) is 4-amino-1-[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]butan-1-one.
What is the SMILES notation for 4-amino-1-[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]butan-1-one?
The canonical SMILES for 4-amino-1-[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]butan-1-one is NCCCC(=O)N1CCC[C@H]1Cc1ccccc1Cl.
What is the InChIKey of 4-amino-1-[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]butan-1-one?
The InChIKey is GGWJQAMMYZMPMA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21ClN2O/c16-14-7-2-1-5-12(14)11-13-6-4-10-18(13)15(19)8-3-9-17/h1-2,5,7,13H,3-4,6,8-11,17H2/t13-/m0/s1.
What are the key properties of 4-amino-1-[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]butan-1-one?
4-amino-1-[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]butan-1-one has a molecular weight of 280.80 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]butan-1-one is sourced from PubChem (CID 124699273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).