[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-2-methylpyrrolidin-1-yl]-phenylmethanone;hydrochloride

C24H30ClN3O2 — CID 120743449

IUPAC[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-2-methylpyrrolidin-1-yl]-phenylmethanone;hydrochloride
SMILESCC1(C(=O)N2C[C@@H](CN)[C@H](c3ccccc3)C2)CCCN1C(=O)c1ccccc1.Cl
InChIInChI=1S/C24H29N3O2.ClH/c1-24(13-8-14-27(24)22(28)19-11-6-3-7-12-19)23(29)26-16-20(15-25)21(17-26)18-9-4-2-5-10-18;/h2-7,9-12,20-21H,8,13-17,25H2,1H3;1H/t20-,21+,24?;/m1./s1
InChIKeyHBXVQMGFJXFOLA-PGZBAPECSA-N
MW427.98 g/mol
LogP3.30
Rot. Bonds4

About [2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-2-methylpyrrolidin-1-yl]-phenylmethanone;hydrochloride

[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-2-methylpyrrolidin-1-yl]-phenylmethanone;hydrochloride (PubChem CID 120743449) has the molecular formula C24H30ClN3O2 and a molecular weight of 427.98 g/mol. Its IUPAC name is [2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-2-methylpyrrolidin-1-yl]-phenylmethanone;hydrochloride.

Molecular Properties

Compound Name[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-2-methylpyrrolidin-1-yl]-phenylmethanone;hydrochloride
PubChem CID120743449
Molecular FormulaC24H30ClN3O2
Molecular Weight427.98 g/mol
Exact Mass427.20
IUPAC Name[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-2-methylpyrrolidin-1-yl]-phenylmethanone;hydrochloride
SMILESCC1(C(=O)N2C[C@@H](CN)[C@H](c3ccccc3)C2)CCCN1C(=O)c1ccccc1.Cl
InChIInChI=1S/C24H29N3O2.ClH/c1-24(13-8-14-27(24)22(28)19-11-6-3-7-12-19)23(29)26-16-20(15-25)21(17-26)18-9-4-2-5-10-18;/h2-7,9-12,20-21H,8,13-17,25H2,1H3;1H/t20-,21+,24?;/m1./s1
InChIKeyHBXVQMGFJXFOLA-PGZBAPECSA-N
XLogP3.30
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.98
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-methylpyrrolidin-1-yl]-phenylmethanone
CID 119412358
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(1-benzylcyclobutyl)methanone;hydrochloride
CID 120742867
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(4-methoxyphenyl)methanone;hydrochloride
CID 120744939
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(1-benzoylpiperidin-3-yl)methanone
CID 120743578
1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]ethanone;ethane
CID 90748357
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(3-methylphenyl)methanone
CID 120745523
1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-cyclobutylethanone;hydrochloride
CID 120742586
1-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]phenyl]ethanone;hydrochloride
CID 120744819
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-[1-(4-fluorophenyl)cyclopentyl]methanone
CID 120743266
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(4-butan-2-yloxyphenyl)methanone;hydrochloride
CID 120743457
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone;dihydrochloride
CID 120741824
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(2-ethyl-2-methylcyclopropyl)methanone;hydrochloride
CID 120744511

Frequently Asked Questions

What is the IUPAC name of [2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-2-methylpyrrolidin-1-yl]-phenylmethanone;hydrochloride?
The IUPAC name of [2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-2-methylpyrrolidin-1-yl]-phenylmethanone;hydrochloride (CID 120743449) is [2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-2-methylpyrrolidin-1-yl]-phenylmethanone;hydrochloride.
What is the SMILES notation for [2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-2-methylpyrrolidin-1-yl]-phenylmethanone;hydrochloride?
The canonical SMILES for [2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-2-methylpyrrolidin-1-yl]-phenylmethanone;hydrochloride is CC1(C(=O)N2C[C@@H](CN)[C@H](c3ccccc3)C2)CCCN1C(=O)c1ccccc1.Cl.
What is the InChIKey of [2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-2-methylpyrrolidin-1-yl]-phenylmethanone;hydrochloride?
The InChIKey is HBXVQMGFJXFOLA-PGZBAPECSA-N. The full InChI is InChI=1S/C24H29N3O2.ClH/c1-24(13-8-14-27(24)22(28)19-11-6-3-7-12-19)23(29)26-16-20(15-25)21(17-26)18-9-4-2-5-10-18;/h2-7,9-12,20-21H,8,13-17,25H2,1H3;1H/t20-,21+,24?;/m1./s1.
What are the key properties of [2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-2-methylpyrrolidin-1-yl]-phenylmethanone;hydrochloride?
[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-2-methylpyrrolidin-1-yl]-phenylmethanone;hydrochloride has a molecular weight of 427.98 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-2-methylpyrrolidin-1-yl]-phenylmethanone;hydrochloride is sourced from PubChem (CID 120743449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).