1-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid;hydrochloride

C18H25ClN2O4 — CID 162314689

IUPAC1-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid;hydrochloride
SMILESC[C@H]1CN(Cc2ccc(N3CC(C(=O)O)CC3=O)cc2)C[C@H](C)O1.Cl
InChIInChI=1S/C18H24N2O4.ClH/c1-12-8-19(9-13(2)24-12)10-14-3-5-16(6-4-14)20-11-15(18(22)23)7-17(20)21;/h3-6,12-13,15H,7-11H2,1-2H3,(H,22,23);1H/t12-,13-,15?;/m0./s1
InChIKeyLSLSBDYZJGCZFT-BDDIODHDSA-N
MW368.86 g/mol
LogP2.16
Rot. Bonds4

About 1-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid;hydrochloride

1-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid;hydrochloride (PubChem CID 162314689) has the molecular formula C18H25ClN2O4 and a molecular weight of 368.86 g/mol. Its IUPAC name is 1-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid;hydrochloride
PubChem CID162314689
Molecular FormulaC18H25ClN2O4
Molecular Weight368.86 g/mol
Exact Mass368.15
IUPAC Name1-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid;hydrochloride
SMILESC[C@H]1CN(Cc2ccc(N3CC(C(=O)O)CC3=O)cc2)C[C@H](C)O1.Cl
InChIInChI=1S/C18H24N2O4.ClH/c1-12-8-19(9-13(2)24-12)10-14-3-5-16(6-4-14)20-11-15(18(22)23)7-17(20)21;/h3-6,12-13,15H,7-11H2,1-2H3,(H,22,23);1H/t12-,13-,15?;/m0./s1
InChIKeyLSLSBDYZJGCZFT-BDDIODHDSA-N
XLogP2.16
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.86
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid;hydrochloride with MolForge

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Related Compounds

1-[4-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid;hydrochloride
CID 141499109
(3S)-1-[4-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid;hydrochloride
CID 122445933
5-oxo-1-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidine-3-carboxylic acid
CID 122445928
(3S)-1-[4-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 94077375
(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 778085
1-(4-chlorophenyl)-4-(2,6-dimethylmorpholine-4-carbonyl)pyrrolidin-2-one
CID 6471738
1-[4-(2-ethoxy-2-oxoethyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 134159277
4-(2,6-dimethylmorpholine-4-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one
CID 17310611
N-[4-(morpholin-4-ylmethyl)phenyl]-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 108730965
(4R)-4-(4-benzylpiperazine-1-carbonyl)-1-(4-ethylphenyl)pyrrolidin-2-one
CID 9388978
1-(4-chlorophenyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 55839591
(3S)-5-oxo-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine-3-carboxylic acid
CID 99774931

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid;hydrochloride?
The IUPAC name of 1-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid;hydrochloride (CID 162314689) is 1-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 1-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid;hydrochloride is C[C@H]1CN(Cc2ccc(N3CC(C(=O)O)CC3=O)cc2)C[C@H](C)O1.Cl.
What is the InChIKey of 1-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid;hydrochloride?
The InChIKey is LSLSBDYZJGCZFT-BDDIODHDSA-N. The full InChI is InChI=1S/C18H24N2O4.ClH/c1-12-8-19(9-13(2)24-12)10-14-3-5-16(6-4-14)20-11-15(18(22)23)7-17(20)21;/h3-6,12-13,15H,7-11H2,1-2H3,(H,22,23);1H/t12-,13-,15?;/m0./s1.
What are the key properties of 1-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid;hydrochloride?
1-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid;hydrochloride has a molecular weight of 368.86 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 162314689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).