2-[(4-chlorophenyl)methyl-(1-methyl-2-oxopiperidine-4-carbonyl)amino]acetic acid

C16H19ClN2O4 — CID 119193545

IUPAC2-[(4-chlorophenyl)methyl-(1-methyl-2-oxopiperidine-4-carbonyl)amino]acetic acid
SMILESCN1CCC(C(=O)N(CC(=O)O)Cc2ccc(Cl)cc2)CC1=O
InChIInChI=1S/C16H19ClN2O4/c1-18-7-6-12(8-14(18)20)16(23)19(10-15(21)22)9-11-2-4-13(17)5-3-11/h2-5,12H,6-10H2,1H3,(H,21,22)
InChIKeyZCXAHBQAHMGVQM-UHFFFAOYSA-N
MW338.79 g/mol
LogP1.62
Rot. Bonds5

About 2-[(4-chlorophenyl)methyl-(1-methyl-2-oxopiperidine-4-carbonyl)amino]acetic acid

2-[(4-chlorophenyl)methyl-(1-methyl-2-oxopiperidine-4-carbonyl)amino]acetic acid (PubChem CID 119193545) has the molecular formula C16H19ClN2O4 and a molecular weight of 338.79 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl-(1-methyl-2-oxopiperidine-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl-(1-methyl-2-oxopiperidine-4-carbonyl)amino]acetic acid
PubChem CID119193545
Molecular FormulaC16H19ClN2O4
Molecular Weight338.79 g/mol
Exact Mass338.10
IUPAC Name2-[(4-chlorophenyl)methyl-(1-methyl-2-oxopiperidine-4-carbonyl)amino]acetic acid
SMILESCN1CCC(C(=O)N(CC(=O)O)Cc2ccc(Cl)cc2)CC1=O
InChIInChI=1S/C16H19ClN2O4/c1-18-7-6-12(8-14(18)20)16(23)19(10-15(21)22)9-11-2-4-13(17)5-3-11/h2-5,12H,6-10H2,1H3,(H,21,22)
InChIKeyZCXAHBQAHMGVQM-UHFFFAOYSA-N
XLogP1.62
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl-(1-methyl-2-oxopiperidine-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(4-chlorophenyl)methyl-(1-methyl-2-oxopiperidine-4-carbonyl)amino]acetic acid (CID 119193545) is 2-[(4-chlorophenyl)methyl-(1-methyl-2-oxopiperidine-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl-(1-methyl-2-oxopiperidine-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(4-chlorophenyl)methyl-(1-methyl-2-oxopiperidine-4-carbonyl)amino]acetic acid is CN1CCC(C(=O)N(CC(=O)O)Cc2ccc(Cl)cc2)CC1=O.
What is the InChIKey of 2-[(4-chlorophenyl)methyl-(1-methyl-2-oxopiperidine-4-carbonyl)amino]acetic acid?
The InChIKey is ZCXAHBQAHMGVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O4/c1-18-7-6-12(8-14(18)20)16(23)19(10-15(21)22)9-11-2-4-13(17)5-3-11/h2-5,12H,6-10H2,1H3,(H,21,22).
What are the key properties of 2-[(4-chlorophenyl)methyl-(1-methyl-2-oxopiperidine-4-carbonyl)amino]acetic acid?
2-[(4-chlorophenyl)methyl-(1-methyl-2-oxopiperidine-4-carbonyl)amino]acetic acid has a molecular weight of 338.79 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl-(1-methyl-2-oxopiperidine-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 119193545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).