2-[[1-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-6,6-dimethyl-2,4-dioxopiperidine-3-carbonyl]amino]acetic acid

C20H20ClN3O6 — CID 123207171

IUPAC2-[[1-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-6,6-dimethyl-2,4-dioxopiperidine-3-carbonyl]amino]acetic acid
SMILESCC1(C)CC(=O)C(C(=O)NCC(=O)O)C(=O)N1Cc1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C20H20ClN3O6/c1-20(2)8-14(25)17(18(28)22-9-16(26)27)19(29)24(20)10-13-7-15(30-23-13)11-3-5-12(21)6-4-11/h3-7,17H,8-10H2,1-2H3,(H,22,28)(H,26,27)
InChIKeyKOFBBMTZAKWWLZ-UHFFFAOYSA-N
MW433.85 g/mol
LogP1.89
Rot. Bonds6

About 2-[[1-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-6,6-dimethyl-2,4-dioxopiperidine-3-carbonyl]amino]acetic acid

2-[[1-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-6,6-dimethyl-2,4-dioxopiperidine-3-carbonyl]amino]acetic acid (PubChem CID 123207171) has the molecular formula C20H20ClN3O6 and a molecular weight of 433.85 g/mol. Its IUPAC name is 2-[[1-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-6,6-dimethyl-2,4-dioxopiperidine-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[1-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-6,6-dimethyl-2,4-dioxopiperidine-3-carbonyl]amino]acetic acid
PubChem CID123207171
Molecular FormulaC20H20ClN3O6
Molecular Weight433.85 g/mol
Exact Mass433.10
IUPAC Name2-[[1-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-6,6-dimethyl-2,4-dioxopiperidine-3-carbonyl]amino]acetic acid
SMILESCC1(C)CC(=O)C(C(=O)NCC(=O)O)C(=O)N1Cc1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C20H20ClN3O6/c1-20(2)8-14(25)17(18(28)22-9-16(26)27)19(29)24(20)10-13-7-15(30-23-13)11-3-5-12(21)6-4-11/h3-7,17H,8-10H2,1-2H3,(H,22,28)(H,26,27)
InChIKeyKOFBBMTZAKWWLZ-UHFFFAOYSA-N
XLogP1.89
TPSA129.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.85
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-[[1-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-6,6-dimethyl-2,4-dioxopiperidine-3-carbonyl]amino]acetic acid with MolForge

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Related Compounds

2-[[1-[(4-cyclopentyloxyphenyl)methyl]-6,6-dimethyl-2,4-dioxopiperidine-3-carbonyl]amino]acetic acid
CID 123232549
2-[[1-[[4-(cyclobutylmethoxy)phenyl]methyl]-6,6-dimethyl-2,4-dioxopiperidine-3-carbonyl]amino]acetic acid
CID 123403750
2-[[1-[[4-(3,4-dichlorophenyl)phenyl]methyl]-2,4-dioxopiperidine-3-carbonyl]amino]acetic acid
CID 123340080
2-[[2,4-dioxo-1-[(4-phenylphenyl)methyl]-1,9-diazaspiro[5.5]undecane-3-carbonyl]amino]acetic acid
CID 123912353
N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]adamantane-1-carboxamide
CID 16866721
2-(4-chlorophenyl)-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]acetamide
CID 16866804
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[2-(dimethylamino)ethyl]acetamide
CID 16878599
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3-methylbutyl)acetamide
CID 16878594
1-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]indole-2-carboxylic acid
CID 22394375
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)acetamide
CID 110619938
N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3,5-dimethylbenzamide
CID 16866727
4-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3,6-bis(2-methylpropyl)piperazin-2-one
CID 72661510

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-6,6-dimethyl-2,4-dioxopiperidine-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[1-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-6,6-dimethyl-2,4-dioxopiperidine-3-carbonyl]amino]acetic acid (CID 123207171) is 2-[[1-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-6,6-dimethyl-2,4-dioxopiperidine-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[1-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-6,6-dimethyl-2,4-dioxopiperidine-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[1-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-6,6-dimethyl-2,4-dioxopiperidine-3-carbonyl]amino]acetic acid is CC1(C)CC(=O)C(C(=O)NCC(=O)O)C(=O)N1Cc1cc(-c2ccc(Cl)cc2)on1.
What is the InChIKey of 2-[[1-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-6,6-dimethyl-2,4-dioxopiperidine-3-carbonyl]amino]acetic acid?
The InChIKey is KOFBBMTZAKWWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O6/c1-20(2)8-14(25)17(18(28)22-9-16(26)27)19(29)24(20)10-13-7-15(30-23-13)11-3-5-12(21)6-4-11/h3-7,17H,8-10H2,1-2H3,(H,22,28)(H,26,27).
What are the key properties of 2-[[1-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-6,6-dimethyl-2,4-dioxopiperidine-3-carbonyl]amino]acetic acid?
2-[[1-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-6,6-dimethyl-2,4-dioxopiperidine-3-carbonyl]amino]acetic acid has a molecular weight of 433.85 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-6,6-dimethyl-2,4-dioxopiperidine-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 123207171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).