2-[[(5-methyloxolane-2-carbonyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid

C20H23NO4 — CID 120527172

IUPAC2-[[(5-methyloxolane-2-carbonyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid
SMILESCC1CCC(C(=O)NCC(Cc2cccc3ccccc23)C(=O)O)O1
InChIInChI=1S/C20H23NO4/c1-13-9-10-18(25-13)19(22)21-12-16(20(23)24)11-15-7-4-6-14-5-2-3-8-17(14)15/h2-8,13,16,18H,9-12H2,1H3,(H,21,22)(H,23,24)
InChIKeyZUWDEKUDUKGHGO-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.77
Rot. Bonds6

About 2-[[(5-methyloxolane-2-carbonyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid

2-[[(5-methyloxolane-2-carbonyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid (PubChem CID 120527172) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-[[(5-methyloxolane-2-carbonyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid.

Molecular Properties

Compound Name2-[[(5-methyloxolane-2-carbonyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid
PubChem CID120527172
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name2-[[(5-methyloxolane-2-carbonyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid
SMILESCC1CCC(C(=O)NCC(Cc2cccc3ccccc23)C(=O)O)O1
InChIInChI=1S/C20H23NO4/c1-13-9-10-18(25-13)19(22)21-12-16(20(23)24)11-15-7-4-6-14-5-2-3-8-17(14)15/h2-8,13,16,18H,9-12H2,1H3,(H,21,22)(H,23,24)
InChIKeyZUWDEKUDUKGHGO-UHFFFAOYSA-N
XLogP2.77
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.77
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-[[(1-methyl-2-oxopiperidine-4-carbonyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid
CID 119245555
2-[[(2-cyclopentyloxyacetyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid
CID 119245533
2-[(2,2-dimethylbutanoylamino)methyl]-3-naphthalen-1-ylpropanoic acid
CID 119245534
2-[(2-methylsulfanylpropanoylamino)methyl]-3-naphthalen-1-ylpropanoic acid
CID 119245630
2-[[[1-(methylcarbamoyl)cyclopropanecarbonyl]amino]methyl]-3-naphthalen-1-ylpropanoic acid
CID 119245564
2-[[2-(2,2-dimethylpropanoylamino)propanoylamino]methyl]-3-naphthalen-1-ylpropanoic acid
CID 119245517
2-[[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid
CID 119245551
(2R)-2-(hydroxymethyl)-3-naphthalen-1-ylpropanoic acid
CID 10466391
2-[(cyclooctanecarbonylamino)methyl]-3-(2-methoxyphenyl)propanoic acid
CID 120533111
2-[[(1,4-dimethylpyrazole-3-carbonyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid
CID 167979022
(2S)-2-[[[(1R,5S)-bicyclo[3.1.0]hexane-6-carbonyl]amino]methyl]-3-(2-methylphenyl)propanoic acid
CID 99851569

Frequently Asked Questions

What is the IUPAC name of 2-[[(5-methyloxolane-2-carbonyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid?
The IUPAC name of 2-[[(5-methyloxolane-2-carbonyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid (CID 120527172) is 2-[[(5-methyloxolane-2-carbonyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid.
What is the SMILES notation for 2-[[(5-methyloxolane-2-carbonyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid?
The canonical SMILES for 2-[[(5-methyloxolane-2-carbonyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid is CC1CCC(C(=O)NCC(Cc2cccc3ccccc23)C(=O)O)O1.
What is the InChIKey of 2-[[(5-methyloxolane-2-carbonyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid?
The InChIKey is ZUWDEKUDUKGHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-13-9-10-18(25-13)19(22)21-12-16(20(23)24)11-15-7-4-6-14-5-2-3-8-17(14)15/h2-8,13,16,18H,9-12H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 2-[[(5-methyloxolane-2-carbonyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid?
2-[[(5-methyloxolane-2-carbonyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid has a molecular weight of 341.41 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5-methyloxolane-2-carbonyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid is sourced from PubChem (CID 120527172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).