(3R)-1-(2,4-dimethoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-5-oxopyrrolidine-3-carboxamide

C19H28N3O5+ — CID 9351420

IUPAC(3R)-1-(2,4-dimethoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2C[C@H](C(=O)NCC[NH+]3CCOCC3)CC2=O)c(OC)c1
InChIInChI=1S/C19H27N3O5/c1-25-15-3-4-16(17(12-15)26-2)22-13-14(11-18(22)23)19(24)20-5-6-21-7-9-27-10-8-21/h3-4,12,14H,5-11,13H2,1-2H3,(H,20,24)/p+1/t14-/m1/s1
InChIKeyAYQVROSGZVSMQJ-CQSZACIVSA-O
MW378.45 g/mol
LogP-0.91
Rot. Bonds7

About (3R)-1-(2,4-dimethoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-5-oxopyrrolidine-3-carboxamide

(3R)-1-(2,4-dimethoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 9351420) has the molecular formula C19H28N3O5+ and a molecular weight of 378.45 g/mol. Its IUPAC name is (3R)-1-(2,4-dimethoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2,4-dimethoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID9351420
Molecular FormulaC19H28N3O5+
Molecular Weight378.45 g/mol
Exact Mass378.20
IUPAC Name(3R)-1-(2,4-dimethoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2C[C@H](C(=O)NCC[NH+]3CCOCC3)CC2=O)c(OC)c1
InChIInChI=1S/C19H27N3O5/c1-25-15-3-4-16(17(12-15)26-2)22-13-14(11-18(22)23)19(24)20-5-6-21-7-9-27-10-8-21/h3-4,12,14H,5-11,13H2,1-2H3,(H,20,24)/p+1/t14-/m1/s1
InChIKeyAYQVROSGZVSMQJ-CQSZACIVSA-O
XLogP-0.91
TPSA81.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-dimethoxyphenyl)-N-[2-(methylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 119500040
(3R)-1-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 9351397
1-(2,4-dimethoxyphenyl)-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 17187446
(3R)-1-(2,4-dimethoxyphenyl)-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 9351564
methyl 4-[[(3S)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]butanoate
CID 9317880
1-(2,4-dimethoxyphenyl)-5-oxo-N-(2-piperazin-1-ylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119444947
1-(2,4-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 51149994
N-[(4-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55334367
(3S)-1-(2,4-dimethoxyphenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 42473597
1-(2,4-dimethoxyphenyl)-5-oxo-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119533531
1-(2,4-dimethoxyphenyl)-N-[(2R)-2-(ethylamino)propyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120651750
(3R)-1-(2,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9351533

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,4-dimethoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(2,4-dimethoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-5-oxopyrrolidine-3-carboxamide (CID 9351420) is (3R)-1-(2,4-dimethoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2,4-dimethoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2,4-dimethoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(N2C[C@H](C(=O)NCC[NH+]3CCOCC3)CC2=O)c(OC)c1.
What is the InChIKey of (3R)-1-(2,4-dimethoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is AYQVROSGZVSMQJ-CQSZACIVSA-O. The full InChI is InChI=1S/C19H27N3O5/c1-25-15-3-4-16(17(12-15)26-2)22-13-14(11-18(22)23)19(24)20-5-6-21-7-9-27-10-8-21/h3-4,12,14H,5-11,13H2,1-2H3,(H,20,24)/p+1/t14-/m1/s1.
What are the key properties of (3R)-1-(2,4-dimethoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(2,4-dimethoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 378.45 g/mol, XLogP of -0.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,4-dimethoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 9351420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).