2-(naphthalen-2-ylmethyl)-3-[[2-(oxan-4-yl)acetyl]amino]propanoic acid

C21H25NO4 — CID 119245416

IUPAC2-(naphthalen-2-ylmethyl)-3-[[2-(oxan-4-yl)acetyl]amino]propanoic acid
SMILESO=C(CC1CCOCC1)NCC(Cc1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C21H25NO4/c23-20(13-15-7-9-26-10-8-15)22-14-19(21(24)25)12-16-5-6-17-3-1-2-4-18(17)11-16/h1-6,11,15,19H,7-10,12-14H2,(H,22,23)(H,24,25)
InChIKeyZYPVJSAGYMMTBA-UHFFFAOYSA-N
MW355.43 g/mol
LogP3.02
Rot. Bonds7

About 2-(naphthalen-2-ylmethyl)-3-[[2-(oxan-4-yl)acetyl]amino]propanoic acid

2-(naphthalen-2-ylmethyl)-3-[[2-(oxan-4-yl)acetyl]amino]propanoic acid (PubChem CID 119245416) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is 2-(naphthalen-2-ylmethyl)-3-[[2-(oxan-4-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-(naphthalen-2-ylmethyl)-3-[[2-(oxan-4-yl)acetyl]amino]propanoic acid
PubChem CID119245416
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Name2-(naphthalen-2-ylmethyl)-3-[[2-(oxan-4-yl)acetyl]amino]propanoic acid
SMILESO=C(CC1CCOCC1)NCC(Cc1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C21H25NO4/c23-20(13-15-7-9-26-10-8-15)22-14-19(21(24)25)12-16-5-6-17-3-1-2-4-18(17)11-16/h1-6,11,15,19H,7-10,12-14H2,(H,22,23)(H,24,25)
InChIKeyZYPVJSAGYMMTBA-UHFFFAOYSA-N
XLogP3.02
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(naphthalen-2-ylmethyl)-3-[[2-(oxolan-2-yl)acetyl]amino]propanoic acid
CID 119245385
2-benzyl-3-[(2-cyclopentylacetyl)amino]propanoic acid
CID 119233645
2-(naphthalen-2-ylmethyl)-3-(thiane-4-carbonylamino)propanoic acid
CID 120527148
(2S)-2-[(3-methylphenyl)methyl]-3-[3-(oxan-4-yl)propanoylamino]propanoic acid
CID 97324615
2-[[[2-(1-methoxycyclobutyl)acetyl]amino]methyl]-3-naphthalen-2-ylpropanoic acid
CID 120687757
2-[[[2-(4-acetamidophenyl)acetyl]amino]methyl]-3-naphthalen-2-ylpropanoic acid
CID 122146595
2-[[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]methyl]-3-naphthalen-2-ylpropanoic acid
CID 119245413
(2R)-2-[(furan-3-carbonylamino)methyl]-3-naphthalen-2-ylpropanoic acid
CID 97324644
2-[[(2-acetamido-2-cyclopentylacetyl)amino]methyl]-3-naphthalen-2-ylpropanoic acid
CID 119245450
N-(naphthalen-2-ylmethyl)-1-(oxan-4-yl)methanamine
CID 62351212
2-(naphthalen-2-ylmethyl)-3-[[2-(2-oxo-1H-quinolin-3-yl)acetyl]amino]propanoic acid
CID 155950289
2-(naphthalen-2-ylmethyl)butanoic acid
CID 77427365

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-2-ylmethyl)-3-[[2-(oxan-4-yl)acetyl]amino]propanoic acid?
The IUPAC name of 2-(naphthalen-2-ylmethyl)-3-[[2-(oxan-4-yl)acetyl]amino]propanoic acid (CID 119245416) is 2-(naphthalen-2-ylmethyl)-3-[[2-(oxan-4-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-(naphthalen-2-ylmethyl)-3-[[2-(oxan-4-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-(naphthalen-2-ylmethyl)-3-[[2-(oxan-4-yl)acetyl]amino]propanoic acid is O=C(CC1CCOCC1)NCC(Cc1ccc2ccccc2c1)C(=O)O.
What is the InChIKey of 2-(naphthalen-2-ylmethyl)-3-[[2-(oxan-4-yl)acetyl]amino]propanoic acid?
The InChIKey is ZYPVJSAGYMMTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c23-20(13-15-7-9-26-10-8-15)22-14-19(21(24)25)12-16-5-6-17-3-1-2-4-18(17)11-16/h1-6,11,15,19H,7-10,12-14H2,(H,22,23)(H,24,25).
What are the key properties of 2-(naphthalen-2-ylmethyl)-3-[[2-(oxan-4-yl)acetyl]amino]propanoic acid?
2-(naphthalen-2-ylmethyl)-3-[[2-(oxan-4-yl)acetyl]amino]propanoic acid has a molecular weight of 355.43 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-2-ylmethyl)-3-[[2-(oxan-4-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 119245416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).