4-[methyl-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]butanoic acid

C19H22N2O4 — CID 119172823

IUPAC4-[methyl-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)CNC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C19H22N2O4/c1-21(11-5-10-19(24)25)18(23)13-20-17(22)12-15-8-4-7-14-6-2-3-9-16(14)15/h2-4,6-9H,5,10-13H2,1H3,(H,20,22)(H,24,25)
InChIKeyMJVJLYOXYBLYLR-UHFFFAOYSA-N
MW342.39 g/mol
LogP1.82
Rot. Bonds8

About 4-[methyl-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]butanoic acid

4-[methyl-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]butanoic acid (PubChem CID 119172823) has the molecular formula C19H22N2O4 and a molecular weight of 342.39 g/mol. Its IUPAC name is 4-[methyl-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]butanoic acid
PubChem CID119172823
Molecular FormulaC19H22N2O4
Molecular Weight342.39 g/mol
Exact Mass342.16
IUPAC Name4-[methyl-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)CNC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C19H22N2O4/c1-21(11-5-10-19(24)25)18(23)13-20-17(22)12-15-8-4-7-14-6-2-3-9-16(14)15/h2-4,6-9H,5,10-13H2,1H3,(H,20,22)(H,24,25)
InChIKeyMJVJLYOXYBLYLR-UHFFFAOYSA-N
XLogP1.82
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl-(2-naphthalen-1-ylacetyl)amino]propanoic acid
CID 60989846
N-[2-[2-[cyclohexyl(methyl)amino]ethyl-methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 60579651
2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetic acid
CID 108797411
2-[2-methoxyethyl-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetic acid
CID 119189085
2-[butan-2-yl-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetic acid
CID 119955196
N-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 9020477
N-[2-[1-adamantylmethyl(methyl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 55437775
N-[3-(N-methylanilino)propyl]-2-naphthalen-1-ylacetamide
CID 27746775
N-[2-(ethylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 18145666
N-(2-amino-2-oxoethyl)-2-naphthalen-1-ylacetamide
CID 9294847
N-[2-[1-(4-chlorophenyl)ethyl-methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 46580634
N-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 120886692

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]butanoic acid?
The IUPAC name of 4-[methyl-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]butanoic acid (CID 119172823) is 4-[methyl-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]butanoic acid.
What is the SMILES notation for 4-[methyl-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]butanoic acid?
The canonical SMILES for 4-[methyl-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]butanoic acid is CN(CCCC(=O)O)C(=O)CNC(=O)Cc1cccc2ccccc12.
What is the InChIKey of 4-[methyl-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]butanoic acid?
The InChIKey is MJVJLYOXYBLYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-21(11-5-10-19(24)25)18(23)13-20-17(22)12-15-8-4-7-14-6-2-3-9-16(14)15/h2-4,6-9H,5,10-13H2,1H3,(H,20,22)(H,24,25).
What are the key properties of 4-[methyl-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]butanoic acid?
4-[methyl-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]butanoic acid has a molecular weight of 342.39 g/mol, XLogP of 1.82, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]butanoic acid is sourced from PubChem (CID 119172823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).