2-[[(1-methyl-2-oxopiperidine-4-carbonyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid

C21H24N2O4 — CID 119245555

IUPAC2-[[(1-methyl-2-oxopiperidine-4-carbonyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid
SMILESCN1CCC(C(=O)NCC(Cc2cccc3ccccc23)C(=O)O)CC1=O
InChIInChI=1S/C21H24N2O4/c1-23-10-9-16(12-19(23)24)20(25)22-13-17(21(26)27)11-15-7-4-6-14-5-2-3-8-18(14)15/h2-8,16-17H,9-13H2,1H3,(H,22,25)(H,26,27)
InChIKeyNTRPCDOJVQZVPS-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.07
Rot. Bonds6

About 2-[[(1-methyl-2-oxopiperidine-4-carbonyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid

2-[[(1-methyl-2-oxopiperidine-4-carbonyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid (PubChem CID 119245555) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 2-[[(1-methyl-2-oxopiperidine-4-carbonyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid.

Molecular Properties

Compound Name2-[[(1-methyl-2-oxopiperidine-4-carbonyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid
PubChem CID119245555
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name2-[[(1-methyl-2-oxopiperidine-4-carbonyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid
SMILESCN1CCC(C(=O)NCC(Cc2cccc3ccccc23)C(=O)O)CC1=O
InChIInChI=1S/C21H24N2O4/c1-23-10-9-16(12-19(23)24)20(25)22-13-17(21(26)27)11-15-7-4-6-14-5-2-3-8-18(14)15/h2-8,16-17H,9-13H2,1H3,(H,22,25)(H,26,27)
InChIKeyNTRPCDOJVQZVPS-UHFFFAOYSA-N
XLogP2.07
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[(1-methyl-2-oxopiperidine-4-carbonyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid with MolForge

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Related Compounds

N-(2,2-diphenylethyl)-1-methyl-2-oxopiperidine-4-carboxamide
CID 75460632
(2R)-4-methyl-2-[[[(4R)-1-methyl-2-oxopiperidine-4-carbonyl]amino]methyl]pentanoic acid
CID 124610332
2-[[(5-methyloxolane-2-carbonyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid
CID 120527172
(2R)-2-[[(4S)-1-methyl-2-oxopiperidine-4-carbonyl]amino]-3-phenylpropanoic acid
CID 97215052
2-[2-[[(4S)-1-methyl-2-oxopiperidine-4-carbonyl]amino]phenyl]acetic acid
CID 129467310
2-[(3-methylbutanoylamino)methyl]-3-naphthalen-1-ylpropanoic acid
CID 119245641
2-[(2-methylsulfanylpropanoylamino)methyl]-3-naphthalen-1-ylpropanoic acid
CID 119245630
2-[(2,2-dimethylbutanoylamino)methyl]-3-naphthalen-1-ylpropanoic acid
CID 119245534
2-[[(2-cyclopentyloxyacetyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid
CID 119245533
2-[[[1-(methylcarbamoyl)cyclopropanecarbonyl]amino]methyl]-3-naphthalen-1-ylpropanoic acid
CID 119245564
2-[[(1,4-dimethylpyrazole-3-carbonyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid
CID 167979022
2-[[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid
CID 119245551

Frequently Asked Questions

What is the IUPAC name of 2-[[(1-methyl-2-oxopiperidine-4-carbonyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid?
The IUPAC name of 2-[[(1-methyl-2-oxopiperidine-4-carbonyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid (CID 119245555) is 2-[[(1-methyl-2-oxopiperidine-4-carbonyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid.
What is the SMILES notation for 2-[[(1-methyl-2-oxopiperidine-4-carbonyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid?
The canonical SMILES for 2-[[(1-methyl-2-oxopiperidine-4-carbonyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid is CN1CCC(C(=O)NCC(Cc2cccc3ccccc23)C(=O)O)CC1=O.
What is the InChIKey of 2-[[(1-methyl-2-oxopiperidine-4-carbonyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid?
The InChIKey is NTRPCDOJVQZVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-23-10-9-16(12-19(23)24)20(25)22-13-17(21(26)27)11-15-7-4-6-14-5-2-3-8-18(14)15/h2-8,16-17H,9-13H2,1H3,(H,22,25)(H,26,27).
What are the key properties of 2-[[(1-methyl-2-oxopiperidine-4-carbonyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid?
2-[[(1-methyl-2-oxopiperidine-4-carbonyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid has a molecular weight of 368.43 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-methyl-2-oxopiperidine-4-carbonyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid is sourced from PubChem (CID 119245555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).