2-[[2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid

C16H19ClN2O4 — CID 119359150

IUPAC2-[[2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)C1CC(=O)N(C)C1c1cccc(Cl)c1
InChIInChI=1S/C16H19ClN2O4/c1-9(16(22)23)18(2)15(21)12-8-13(20)19(3)14(12)10-5-4-6-11(17)7-10/h4-7,9,12,14H,8H2,1-3H3,(H,22,23)
InChIKeySPRBYFWZPBIHHA-UHFFFAOYSA-N
MW338.79 g/mol
LogP1.79
Rot. Bonds4

About 2-[[2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid

2-[[2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid (PubChem CID 119359150) has the molecular formula C16H19ClN2O4 and a molecular weight of 338.79 g/mol. Its IUPAC name is 2-[[2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid
PubChem CID119359150
Molecular FormulaC16H19ClN2O4
Molecular Weight338.79 g/mol
Exact Mass338.10
IUPAC Name2-[[2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)C1CC(=O)N(C)C1c1cccc(Cl)c1
InChIInChI=1S/C16H19ClN2O4/c1-9(16(22)23)18(2)15(21)12-8-13(20)19(3)14(12)10-5-4-6-11(17)7-10/h4-7,9,12,14H,8H2,1-3H3,(H,22,23)
InChIKeySPRBYFWZPBIHHA-UHFFFAOYSA-N
XLogP1.79
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 95242214
cis-(1S,3R)-3-[[2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120676976
cis-(1R,3S)-3-[[2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120679019
(2S,3R)-2-(3-chlorophenyl)-1-methyl-6-oxopiperidine-3-carboxylic acid
CID 95358886
3-[[2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 119177320
4-[4-(1-aminoethyl)piperidine-1-carbonyl]-5-(3-chlorophenyl)-1-methylpyrrolidin-2-one
CID 119518846
N-(2-amino-2-methylpropyl)-2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 119628158
4-[[[2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]methyl]benzoic acid
CID 119165542
4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-5-(3-chlorophenyl)-1-methylpyrrolidin-2-one
CID 120749504
(2S,3S)-2-(3-chlorophenyl)-1-methyl-5-oxo-N'-pyrimidin-2-ylpyrrolidine-3-carbohydrazide
CID 95628484
(3R)-1-[(2R,3S)-2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylic acid
CID 124684500
5-(3-chlorophenyl)-1-methyl-4-(3-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 119578510

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid?
The IUPAC name of 2-[[2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid (CID 119359150) is 2-[[2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid.
What is the SMILES notation for 2-[[2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid?
The canonical SMILES for 2-[[2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid is CC(C(=O)O)N(C)C(=O)C1CC(=O)N(C)C1c1cccc(Cl)c1.
What is the InChIKey of 2-[[2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid?
The InChIKey is SPRBYFWZPBIHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O4/c1-9(16(22)23)18(2)15(21)12-8-13(20)19(3)14(12)10-5-4-6-11(17)7-10/h4-7,9,12,14H,8H2,1-3H3,(H,22,23).
What are the key properties of 2-[[2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid?
2-[[2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid has a molecular weight of 338.79 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid is sourced from PubChem (CID 119359150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).