2-[[(2-cyclopentyloxyacetyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid

C21H25NO4 — CID 119245533

IUPAC2-[[(2-cyclopentyloxyacetyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid
SMILESO=C(COC1CCCC1)NCC(Cc1cccc2ccccc12)C(=O)O
InChIInChI=1S/C21H25NO4/c23-20(14-26-18-9-2-3-10-18)22-13-17(21(24)25)12-16-8-5-7-15-6-1-4-11-19(15)16/h1,4-8,11,17-18H,2-3,9-10,12-14H2,(H,22,23)(H,24,25)
InChIKeyPDIUFJASIUMYLH-UHFFFAOYSA-N
MW355.43 g/mol
LogP3.16
Rot. Bonds8

About 2-[[(2-cyclopentyloxyacetyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid

2-[[(2-cyclopentyloxyacetyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid (PubChem CID 119245533) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is 2-[[(2-cyclopentyloxyacetyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid.

Molecular Properties

Compound Name2-[[(2-cyclopentyloxyacetyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid
PubChem CID119245533
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Name2-[[(2-cyclopentyloxyacetyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid
SMILESO=C(COC1CCCC1)NCC(Cc1cccc2ccccc12)C(=O)O
InChIInChI=1S/C21H25NO4/c23-20(14-26-18-9-2-3-10-18)22-13-17(21(24)25)12-16-8-5-7-15-6-1-4-11-19(15)16/h1,4-8,11,17-18H,2-3,9-10,12-14H2,(H,22,23)(H,24,25)
InChIKeyPDIUFJASIUMYLH-UHFFFAOYSA-N
XLogP3.16
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-methylbutanoylamino)methyl]-3-naphthalen-1-ylpropanoic acid
CID 119245641
2-[[(5-methyloxolane-2-carbonyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid
CID 120527172
2-(naphthalen-1-ylmethyl)-3-[3-(1,3-thiazol-4-yl)propanoylamino]propanoic acid
CID 119245539
2-cyclopentyloxy-N-[(2R)-2-phenoxypropyl]acetamide
CID 95901206
2-cyclopentyloxy-N-[(2S)-2-phenoxypropyl]acetamide
CID 95901205
2-[(2,2-dimethylbutanoylamino)methyl]-3-naphthalen-1-ylpropanoic acid
CID 119245534
2-[(2-methylsulfanylpropanoylamino)methyl]-3-naphthalen-1-ylpropanoic acid
CID 119245630
2-[[3-(1H-indol-5-yl)propanoylamino]methyl]-3-naphthalen-1-ylpropanoic acid
CID 166228711
2-cyclopentyloxy-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]acetamide
CID 47056419
2-[[[1-(methylcarbamoyl)cyclopropanecarbonyl]amino]methyl]-3-naphthalen-1-ylpropanoic acid
CID 119245564
2-[[(1-methyl-2-oxopiperidine-4-carbonyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid
CID 119245555
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-[[(2-cyclopentyloxyacetyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid?
The IUPAC name of 2-[[(2-cyclopentyloxyacetyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid (CID 119245533) is 2-[[(2-cyclopentyloxyacetyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid.
What is the SMILES notation for 2-[[(2-cyclopentyloxyacetyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid?
The canonical SMILES for 2-[[(2-cyclopentyloxyacetyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid is O=C(COC1CCCC1)NCC(Cc1cccc2ccccc12)C(=O)O.
What is the InChIKey of 2-[[(2-cyclopentyloxyacetyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid?
The InChIKey is PDIUFJASIUMYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c23-20(14-26-18-9-2-3-10-18)22-13-17(21(24)25)12-16-8-5-7-15-6-1-4-11-19(15)16/h1,4-8,11,17-18H,2-3,9-10,12-14H2,(H,22,23)(H,24,25).
What are the key properties of 2-[[(2-cyclopentyloxyacetyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid?
2-[[(2-cyclopentyloxyacetyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid has a molecular weight of 355.43 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-cyclopentyloxyacetyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid is sourced from PubChem (CID 119245533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).