4-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(3,5-dimethoxyphenyl)pyrrolidin-2-one;hydrochloride

C17H24ClN3O4 — CID 119413570

IUPAC4-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(3,5-dimethoxyphenyl)pyrrolidin-2-one;hydrochloride
SMILESCOc1cc(OC)cc(N2CC(C(=O)N3CC[C@@H](N)C3)CC2=O)c1.Cl
InChIInChI=1S/C17H23N3O4.ClH/c1-23-14-6-13(7-15(8-14)24-2)20-9-11(5-16(20)21)17(22)19-4-3-12(18)10-19;/h6-8,11-12H,3-5,9-10,18H2,1-2H3;1H/t11?,12-;/m1./s1
InChIKeyIHNWSAVDPVWWEI-ALGPSANZSA-N
MW369.85 g/mol
LogP1.04
Rot. Bonds4

About 4-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(3,5-dimethoxyphenyl)pyrrolidin-2-one;hydrochloride

4-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(3,5-dimethoxyphenyl)pyrrolidin-2-one;hydrochloride (PubChem CID 119413570) has the molecular formula C17H24ClN3O4 and a molecular weight of 369.85 g/mol. Its IUPAC name is 4-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(3,5-dimethoxyphenyl)pyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name4-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(3,5-dimethoxyphenyl)pyrrolidin-2-one;hydrochloride
PubChem CID119413570
Molecular FormulaC17H24ClN3O4
Molecular Weight369.85 g/mol
Exact Mass369.15
IUPAC Name4-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(3,5-dimethoxyphenyl)pyrrolidin-2-one;hydrochloride
SMILESCOc1cc(OC)cc(N2CC(C(=O)N3CC[C@@H](N)C3)CC2=O)c1.Cl
InChIInChI=1S/C17H23N3O4.ClH/c1-23-14-6-13(7-15(8-14)24-2)20-9-11(5-16(20)21)17(22)19-4-3-12(18)10-19;/h6-8,11-12H,3-5,9-10,18H2,1-2H3;1H/t11?,12-;/m1./s1
InChIKeyIHNWSAVDPVWWEI-ALGPSANZSA-N
XLogP1.04
TPSA85.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(3,4,5-trimethoxyphenyl)pyrrolidin-2-one;hydrochloride
CID 119412742
4-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(2,4-dimethoxyphenyl)pyrrolidin-2-one
CID 119409348
1-(3,5-dimethoxyphenyl)-4-[4-(ethylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
CID 119648461
1-(3,5-dimethoxyphenyl)-4-[4-(ethylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119648462
4-(4-aminopiperidine-1-carbonyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidin-2-one;hydrochloride
CID 119376203
1-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 9388657
(4R)-4-[(3S)-3-aminopyrrolidine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one
CID 124698691
1-[1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carbonyl]piperidine-4-carboxamide
CID 42534317
4-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 119413472
4-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-2-one
CID 119410414
1-(4-methoxyphenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
CID 119563790
3-[4-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide
CID 119409588

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(3,5-dimethoxyphenyl)pyrrolidin-2-one;hydrochloride?
The IUPAC name of 4-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(3,5-dimethoxyphenyl)pyrrolidin-2-one;hydrochloride (CID 119413570) is 4-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(3,5-dimethoxyphenyl)pyrrolidin-2-one;hydrochloride.
What is the SMILES notation for 4-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(3,5-dimethoxyphenyl)pyrrolidin-2-one;hydrochloride?
The canonical SMILES for 4-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(3,5-dimethoxyphenyl)pyrrolidin-2-one;hydrochloride is COc1cc(OC)cc(N2CC(C(=O)N3CC[C@@H](N)C3)CC2=O)c1.Cl.
What is the InChIKey of 4-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(3,5-dimethoxyphenyl)pyrrolidin-2-one;hydrochloride?
The InChIKey is IHNWSAVDPVWWEI-ALGPSANZSA-N. The full InChI is InChI=1S/C17H23N3O4.ClH/c1-23-14-6-13(7-15(8-14)24-2)20-9-11(5-16(20)21)17(22)19-4-3-12(18)10-19;/h6-8,11-12H,3-5,9-10,18H2,1-2H3;1H/t11?,12-;/m1./s1.
What are the key properties of 4-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(3,5-dimethoxyphenyl)pyrrolidin-2-one;hydrochloride?
4-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(3,5-dimethoxyphenyl)pyrrolidin-2-one;hydrochloride has a molecular weight of 369.85 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(3,5-dimethoxyphenyl)pyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 119413570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).