(3S)-N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C19H27N3O4 — CID 97070411

IUPAC(3S)-N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2C[C@@H](C(=O)NC[C@@H](O)CN3CCOCC3)CC2=O)cc1
InChIInChI=1S/C19H27N3O4/c1-14-2-4-16(5-3-14)22-12-15(10-18(22)24)19(25)20-11-17(23)13-21-6-8-26-9-7-21/h2-5,15,17,23H,6-13H2,1H3,(H,20,25)/t15-,17+/m0/s1
InChIKeySCKQFGNNQNBYQF-DOTOQJQBSA-N
MW361.44 g/mol
LogP0.16
Rot. Bonds6

About (3S)-N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

(3S)-N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 97070411) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is (3S)-N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID97070411
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name(3S)-N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2C[C@@H](C(=O)NC[C@@H](O)CN3CCOCC3)CC2=O)cc1
InChIInChI=1S/C19H27N3O4/c1-14-2-4-16(5-3-14)22-12-15(10-18(22)24)19(25)20-11-17(23)13-21-6-8-26-9-7-21/h2-5,15,17,23H,6-13H2,1H3,(H,20,25)/t15-,17+/m0/s1
InChIKeySCKQFGNNQNBYQF-DOTOQJQBSA-N
XLogP0.16
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 37288434
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55609929
N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 86984966
N-(3-amino-2-methylpropyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119996455
N-[(2R)-2-(ethylamino)propyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120653192
1-(4-methylphenyl)-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 122321567
N-(2-hydroxy-2-thiophen-3-ylethyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 111441332
1-(4-bromophenyl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 113188045
(3S)-N-(2-acetamidoethyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30595729
1-(4-hydroxyphenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 2955573
1-(4-methylphenyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 51154055
1-(4-methylsulfanylphenyl)-N-(4-morpholin-4-ylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 55742273

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 97070411) is (3S)-N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc(N2C[C@@H](C(=O)NC[C@@H](O)CN3CCOCC3)CC2=O)cc1.
What is the InChIKey of (3S)-N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is SCKQFGNNQNBYQF-DOTOQJQBSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-14-2-4-16(5-3-14)22-12-15(10-18(22)24)19(25)20-11-17(23)13-21-6-8-26-9-7-21/h2-5,15,17,23H,6-13H2,1H3,(H,20,25)/t15-,17+/m0/s1.
What are the key properties of (3S)-N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 361.44 g/mol, XLogP of 0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 97070411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).