N-[4-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride

C23H28ClN3O2 — CID 120743061

IUPACN-[4-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride
SMILESCC1CC1C(=O)Nc1ccc(C(=O)N2C[C@@H](CN)[C@H](c3ccccc3)C2)cc1.Cl
InChIInChI=1S/C23H27N3O2.ClH/c1-15-11-20(15)22(27)25-19-9-7-17(8-10-19)23(28)26-13-18(12-24)21(14-26)16-5-3-2-4-6-16;/h2-10,15,18,20-21H,11-14,24H2,1H3,(H,25,27);1H/t15?,18-,20?,21+;/m1./s1
InChIKeyGCQQGHALAGKDGT-SMLCGQPTSA-N
MW413.95 g/mol
LogP3.52
Rot. Bonds5

About N-[4-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride

N-[4-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride (PubChem CID 120743061) has the molecular formula C23H28ClN3O2 and a molecular weight of 413.95 g/mol. Its IUPAC name is N-[4-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride
PubChem CID120743061
Molecular FormulaC23H28ClN3O2
Molecular Weight413.95 g/mol
Exact Mass413.19
IUPAC NameN-[4-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride
SMILESCC1CC1C(=O)Nc1ccc(C(=O)N2C[C@@H](CN)[C@H](c3ccccc3)C2)cc1.Cl
InChIInChI=1S/C23H27N3O2.ClH/c1-15-11-20(15)22(27)25-19-9-7-17(8-10-19)23(28)26-13-18(12-24)21(14-26)16-5-3-2-4-6-16;/h2-10,15,18,20-21H,11-14,24H2,1H3,(H,25,27);1H/t15?,18-,20?,21+;/m1./s1
InChIKeyGCQQGHALAGKDGT-SMLCGQPTSA-N
XLogP3.52
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.95
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[3-acetamido-5-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]phenyl]acetamide;hydrochloride
CID 120743213
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(4-methoxyphenyl)methanone;hydrochloride
CID 120744939
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone;dihydrochloride
CID 120742851
4-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-N-(2,2-dimethylpropyl)benzamide
CID 120744562
N-[3-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]phenyl]acetamide
CID 120744908
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(4-butan-2-yloxyphenyl)methanone;hydrochloride
CID 120743457
N-[4-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-2-methylsulfanylphenyl]acetamide;hydrochloride
CID 120742514
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone;hydrochloride
CID 120744855
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-[4-(2,2,2-trifluoroethoxy)phenyl]methanone;hydrochloride
CID 120742038
1-[4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]phenyl]-3-propan-2-ylurea;hydrochloride
CID 120746328
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(3-methylphenyl)methanone
CID 120745523
1-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]phenyl]ethanone;hydrochloride
CID 120744819

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of N-[4-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride (CID 120743061) is N-[4-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for N-[4-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride is CC1CC1C(=O)Nc1ccc(C(=O)N2C[C@@H](CN)[C@H](c3ccccc3)C2)cc1.Cl.
What is the InChIKey of N-[4-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride?
The InChIKey is GCQQGHALAGKDGT-SMLCGQPTSA-N. The full InChI is InChI=1S/C23H27N3O2.ClH/c1-15-11-20(15)22(27)25-19-9-7-17(8-10-19)23(28)26-13-18(12-24)21(14-26)16-5-3-2-4-6-16;/h2-10,15,18,20-21H,11-14,24H2,1H3,(H,25,27);1H/t15?,18-,20?,21+;/m1./s1.
What are the key properties of N-[4-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride?
N-[4-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride has a molecular weight of 413.95 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 120743061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).