2-naphthalen-2-yl-2-(oxane-2-carbonylamino)acetic acid

C18H19NO4 — CID 120543519

IUPAC2-naphthalen-2-yl-2-(oxane-2-carbonylamino)acetic acid
SMILESO=C(NC(C(=O)O)c1ccc2ccccc2c1)C1CCCCO1
InChIInChI=1S/C18H19NO4/c20-17(15-7-3-4-10-23-15)19-16(18(21)22)14-9-8-12-5-1-2-6-13(12)11-14/h1-2,5-6,8-9,11,15-16H,3-4,7,10H2,(H,19,20)(H,21,22)
InChIKeyJONGAGXTHVQHRS-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.65
Rot. Bonds4

About 2-naphthalen-2-yl-2-(oxane-2-carbonylamino)acetic acid

2-naphthalen-2-yl-2-(oxane-2-carbonylamino)acetic acid (PubChem CID 120543519) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is 2-naphthalen-2-yl-2-(oxane-2-carbonylamino)acetic acid.

Molecular Properties

Compound Name2-naphthalen-2-yl-2-(oxane-2-carbonylamino)acetic acid
PubChem CID120543519
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name2-naphthalen-2-yl-2-(oxane-2-carbonylamino)acetic acid
SMILESO=C(NC(C(=O)O)c1ccc2ccccc2c1)C1CCCCO1
InChIInChI=1S/C18H19NO4/c20-17(15-7-3-4-10-23-15)19-16(18(21)22)14-9-8-12-5-1-2-6-13(12)11-14/h1-2,5-6,8-9,11,15-16H,3-4,7,10H2,(H,19,20)(H,21,22)
InChIKeyJONGAGXTHVQHRS-UHFFFAOYSA-N
XLogP2.65
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-naphthalen-2-yl-2-[3-(oxolan-2-yl)propanoylamino]acetic acid
CID 120543472
2-(oxane-2-carbonylamino)-2-thiophen-2-ylacetic acid
CID 115284229
2-[2-(cyclopentanecarbonylamino)propanoylamino]-2-naphthalen-2-ylacetic acid
CID 120543509
N-(2-hydroxy-2-naphthalen-2-ylethyl)oxolane-2-carboxamide
CID 111112177
2-[(2,2-dimethylcyclopropanecarbonyl)amino]-2-naphthalen-2-ylacetic acid
CID 120543523
N-[cyano(phenyl)methyl]oxane-2-carboxamide
CID 62214242
(2S)-2-(oxane-2-carbonylamino)-3-phenylpropanoic acid
CID 62213678
2-(3-cyclobutylpropanoylamino)-2-naphthalen-2-ylacetic acid
CID 120543456
(2S)-N-[(1S)-1-phenylethyl]oxolane-2-carboxamide
CID 896917
N-(2-amino-1-phenylethyl)oxolane-2-carboxamide
CID 55242926
N-[(1S)-2-amino-1-phenylethyl]oxolane-2-carboxamide
CID 57091313
2-chloro-1-(oxan-2-yl)-2-phenylethanone
CID 81236728

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-2-(oxane-2-carbonylamino)acetic acid?
The IUPAC name of 2-naphthalen-2-yl-2-(oxane-2-carbonylamino)acetic acid (CID 120543519) is 2-naphthalen-2-yl-2-(oxane-2-carbonylamino)acetic acid.
What is the SMILES notation for 2-naphthalen-2-yl-2-(oxane-2-carbonylamino)acetic acid?
The canonical SMILES for 2-naphthalen-2-yl-2-(oxane-2-carbonylamino)acetic acid is O=C(NC(C(=O)O)c1ccc2ccccc2c1)C1CCCCO1.
What is the InChIKey of 2-naphthalen-2-yl-2-(oxane-2-carbonylamino)acetic acid?
The InChIKey is JONGAGXTHVQHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c20-17(15-7-3-4-10-23-15)19-16(18(21)22)14-9-8-12-5-1-2-6-13(12)11-14/h1-2,5-6,8-9,11,15-16H,3-4,7,10H2,(H,19,20)(H,21,22).
What are the key properties of 2-naphthalen-2-yl-2-(oxane-2-carbonylamino)acetic acid?
2-naphthalen-2-yl-2-(oxane-2-carbonylamino)acetic acid has a molecular weight of 313.35 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-2-(oxane-2-carbonylamino)acetic acid is sourced from PubChem (CID 120543519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).