(2R)-2-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpropanamide;hydrochloride

C16H24ClN3O4 — CID 119341756

IUPAC(2R)-2-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpropanamide;hydrochloride
SMILESCOc1cc(OC)cc(N2CCC(N(C)C(=O)[C@@H](C)N)C2=O)c1.Cl
InChIInChI=1S/C16H23N3O4.ClH/c1-10(17)15(20)18(2)14-5-6-19(16(14)21)11-7-12(22-3)9-13(8-11)23-4;/h7-10,14H,5-6,17H2,1-4H3;1H/t10-,14?;/m1./s1
InChIKeyKPTWDVXTVKGEET-WXGKZINCSA-N
MW357.84 g/mol
LogP1.04
Rot. Bonds5

About (2R)-2-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpropanamide;hydrochloride

(2R)-2-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpropanamide;hydrochloride (PubChem CID 119341756) has the molecular formula C16H24ClN3O4 and a molecular weight of 357.84 g/mol. Its IUPAC name is (2R)-2-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpropanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpropanamide;hydrochloride
PubChem CID119341756
Molecular FormulaC16H24ClN3O4
Molecular Weight357.84 g/mol
Exact Mass357.15
IUPAC Name(2R)-2-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpropanamide;hydrochloride
SMILESCOc1cc(OC)cc(N2CCC(N(C)C(=O)[C@@H](C)N)C2=O)c1.Cl
InChIInChI=1S/C16H23N3O4.ClH/c1-10(17)15(20)18(2)14-5-6-19(16(14)21)11-7-12(22-3)9-13(8-11)23-4;/h7-10,14H,5-6,17H2,1-4H3;1H/t10-,14?;/m1./s1
InChIKeyKPTWDVXTVKGEET-WXGKZINCSA-N
XLogP1.04
TPSA85.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpentanamide;hydrochloride
CID 119341758
N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119815344
7-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylheptanamide;hydrochloride
CID 119815316
3-(2-aminophenyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpropanamide;hydrochloride
CID 120611677
(3S)-3-[2,2-difluoroethyl(methyl)amino]-1-(3,5-dimethoxyphenyl)pyrrolidin-2-one
CID 96525253
N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119940318
2-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-3-methoxypropanamide;hydrochloride
CID 120991674
N'-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-[(1-ethylazetidin-2-yl)methyl]-N'-methyloxamide
CID 139014730
1-(3,5-dimethoxyphenyl)-3-[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]pyrrolidin-2-one;hydrochloride
CID 120904513
3-[(2-amino-1,3-thiazol-5-yl)methyl-methylamino]-1-(3,5-dimethoxyphenyl)pyrrolidin-2-one;hydrochloride
CID 120904511
1-(3,5-dimethoxyphenyl)-3-[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]pyrrolidin-2-one
CID 120904514
1-(3,5-dimethoxyphenyl)-3-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]pyrrolidin-2-one
CID 133428745

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpropanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpropanamide;hydrochloride (CID 119341756) is (2R)-2-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpropanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpropanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpropanamide;hydrochloride is COc1cc(OC)cc(N2CCC(N(C)C(=O)[C@@H](C)N)C2=O)c1.Cl.
What is the InChIKey of (2R)-2-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpropanamide;hydrochloride?
The InChIKey is KPTWDVXTVKGEET-WXGKZINCSA-N. The full InChI is InChI=1S/C16H23N3O4.ClH/c1-10(17)15(20)18(2)14-5-6-19(16(14)21)11-7-12(22-3)9-13(8-11)23-4;/h7-10,14H,5-6,17H2,1-4H3;1H/t10-,14?;/m1./s1.
What are the key properties of (2R)-2-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpropanamide;hydrochloride?
(2R)-2-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpropanamide;hydrochloride has a molecular weight of 357.84 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpropanamide;hydrochloride is sourced from PubChem (CID 119341756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).