2-[4-[3-(5-methyloxolan-2-yl)propanoylamino]naphthalen-1-yl]oxyacetic acid

C20H23NO5 — CID 119219265

IUPAC2-[4-[3-(5-methyloxolan-2-yl)propanoylamino]naphthalen-1-yl]oxyacetic acid
SMILESCC1CCC(CCC(=O)Nc2ccc(OCC(=O)O)c3ccccc23)O1
InChIInChI=1S/C20H23NO5/c1-13-6-7-14(26-13)8-11-19(22)21-17-9-10-18(25-12-20(23)24)16-5-3-2-4-15(16)17/h2-5,9-10,13-14H,6-8,11-12H2,1H3,(H,21,22)(H,23,24)
InChIKeyRGVQZQSDYLNFOV-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.59
Rot. Bonds7

About 2-[4-[3-(5-methyloxolan-2-yl)propanoylamino]naphthalen-1-yl]oxyacetic acid

2-[4-[3-(5-methyloxolan-2-yl)propanoylamino]naphthalen-1-yl]oxyacetic acid (PubChem CID 119219265) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-[4-[3-(5-methyloxolan-2-yl)propanoylamino]naphthalen-1-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[4-[3-(5-methyloxolan-2-yl)propanoylamino]naphthalen-1-yl]oxyacetic acid
PubChem CID119219265
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name2-[4-[3-(5-methyloxolan-2-yl)propanoylamino]naphthalen-1-yl]oxyacetic acid
SMILESCC1CCC(CCC(=O)Nc2ccc(OCC(=O)O)c3ccccc23)O1
InChIInChI=1S/C20H23NO5/c1-13-6-7-14(26-13)8-11-19(22)21-17-9-10-18(25-12-20(23)24)16-5-3-2-4-15(16)17/h2-5,9-10,13-14H,6-8,11-12H2,1H3,(H,21,22)(H,23,24)
InChIKeyRGVQZQSDYLNFOV-UHFFFAOYSA-N
XLogP3.59
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[2-(3-cyclopentylpropanoylamino)acetyl]amino]naphthalen-1-yl]oxyacetic acid
CID 119219296
2-[3-[[3-[(2R,5R)-5-methyloxolan-2-yl]propanoylamino]methyl]phenoxy]acetic acid
CID 125131693
2-[4-(3-propan-2-yloxypropanoylamino)naphthalen-1-yl]oxyacetic acid
CID 119219213
2-[4-[3-(2-methoxyethoxy)propanoylamino]naphthalen-1-yl]oxyacetic acid
CID 119219278
2-[4-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]naphthalen-1-yl]oxyacetic acid
CID 119219249
2-[4-[(2-butoxyacetyl)amino]naphthalen-1-yl]oxyacetic acid
CID 119219236
2-[4-[(2-pentoxyacetyl)amino]naphthalen-1-yl]oxyacetic acid
CID 119219204
2-[4-(cyclohex-3-ene-1-carbonylamino)naphthalen-1-yl]oxyacetic acid
CID 119219199
2-[4-[(2-butan-2-yloxyacetyl)amino]naphthalen-1-yl]oxyacetic acid
CID 120522294
4-methyl-3-[3-(5-methyloxolan-2-yl)propanoylamino]benzoic acid
CID 119219419
N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(5-methyloxolan-2-yl)propanamide
CID 71925845
methyl 2-[4-[[2-(methylamino)acetyl]amino]naphthalen-1-yl]oxyacetate
CID 119811908

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(5-methyloxolan-2-yl)propanoylamino]naphthalen-1-yl]oxyacetic acid?
The IUPAC name of 2-[4-[3-(5-methyloxolan-2-yl)propanoylamino]naphthalen-1-yl]oxyacetic acid (CID 119219265) is 2-[4-[3-(5-methyloxolan-2-yl)propanoylamino]naphthalen-1-yl]oxyacetic acid.
What is the SMILES notation for 2-[4-[3-(5-methyloxolan-2-yl)propanoylamino]naphthalen-1-yl]oxyacetic acid?
The canonical SMILES for 2-[4-[3-(5-methyloxolan-2-yl)propanoylamino]naphthalen-1-yl]oxyacetic acid is CC1CCC(CCC(=O)Nc2ccc(OCC(=O)O)c3ccccc23)O1.
What is the InChIKey of 2-[4-[3-(5-methyloxolan-2-yl)propanoylamino]naphthalen-1-yl]oxyacetic acid?
The InChIKey is RGVQZQSDYLNFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-13-6-7-14(26-13)8-11-19(22)21-17-9-10-18(25-12-20(23)24)16-5-3-2-4-15(16)17/h2-5,9-10,13-14H,6-8,11-12H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 2-[4-[3-(5-methyloxolan-2-yl)propanoylamino]naphthalen-1-yl]oxyacetic acid?
2-[4-[3-(5-methyloxolan-2-yl)propanoylamino]naphthalen-1-yl]oxyacetic acid has a molecular weight of 357.41 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(5-methyloxolan-2-yl)propanoylamino]naphthalen-1-yl]oxyacetic acid is sourced from PubChem (CID 119219265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).