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

C20H23NO4 — CID 119245385

IUPAC2-(naphthalen-2-ylmethyl)-3-[[2-(oxolan-2-yl)acetyl]amino]propanoic acid
SMILESO=C(CC1CCCO1)NCC(Cc1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C20H23NO4/c22-19(12-18-6-3-9-25-18)21-13-17(20(23)24)11-14-7-8-15-4-1-2-5-16(15)10-14/h1-2,4-5,7-8,10,17-18H,3,6,9,11-13H2,(H,21,22)(H,23,24)
InChIKeyNUOYHAFRNBSQPQ-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.77
Rot. Bonds7

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

2-(naphthalen-2-ylmethyl)-3-[[2-(oxolan-2-yl)acetyl]amino]propanoic acid (PubChem CID 119245385) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-(naphthalen-2-ylmethyl)-3-[[2-(oxolan-2-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-(naphthalen-2-ylmethyl)-3-[[2-(oxolan-2-yl)acetyl]amino]propanoic acid
PubChem CID119245385
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name2-(naphthalen-2-ylmethyl)-3-[[2-(oxolan-2-yl)acetyl]amino]propanoic acid
SMILESO=C(CC1CCCO1)NCC(Cc1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C20H23NO4/c22-19(12-18-6-3-9-25-18)21-13-17(20(23)24)11-14-7-8-15-4-1-2-5-16(15)10-14/h1-2,4-5,7-8,10,17-18H,3,6,9,11-13H2,(H,21,22)(H,23,24)
InChIKeyNUOYHAFRNBSQPQ-UHFFFAOYSA-N
XLogP2.77
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

Analyze 2-(naphthalen-2-ylmethyl)-3-[[2-(oxolan-2-yl)acetyl]amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(naphthalen-2-ylmethyl)-3-[[2-(oxan-4-yl)acetyl]amino]propanoic acid
CID 119245416
2-[(4-ethoxyphenyl)methyl]-3-[[2-(oxolan-2-yl)acetyl]amino]propanoic acid
CID 119231937
2-(naphthalen-2-ylmethyl)-3-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonylamino)propanoic acid
CID 119245485
3-[[2-(oxolan-2-yl)acetyl]amino]-2-phenylpropanoic acid
CID 65157429
(2R)-2-[(4-methylphenyl)methyl]-3-[3-[(2R)-oxolan-2-yl]propanoylamino]propanoic acid
CID 97324632
2-[[[2-(1-methoxycyclobutyl)acetyl]amino]methyl]-3-naphthalen-2-ylpropanoic acid
CID 120687757
2-[[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]methyl]-3-naphthalen-2-ylpropanoic acid
CID 119245413
2-(naphthalen-2-ylmethyl)-3-(thiane-4-carbonylamino)propanoic acid
CID 120527148
N-(2-chloro-2-phenylethyl)-2-(oxolan-2-yl)acetamide
CID 113271343
2-[(3-methylphenyl)methyl]-3-[3-(oxan-2-yl)propanoylamino]propanoic acid
CID 119243325
2-[[[2-(4-acetamidophenyl)acetyl]amino]methyl]-3-naphthalen-2-ylpropanoic acid
CID 122146595
(2R)-2-[(furan-3-carbonylamino)methyl]-3-naphthalen-2-ylpropanoic acid
CID 97324644

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-2-ylmethyl)-3-[[2-(oxolan-2-yl)acetyl]amino]propanoic acid?
The IUPAC name of 2-(naphthalen-2-ylmethyl)-3-[[2-(oxolan-2-yl)acetyl]amino]propanoic acid (CID 119245385) is 2-(naphthalen-2-ylmethyl)-3-[[2-(oxolan-2-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-(naphthalen-2-ylmethyl)-3-[[2-(oxolan-2-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-(naphthalen-2-ylmethyl)-3-[[2-(oxolan-2-yl)acetyl]amino]propanoic acid is O=C(CC1CCCO1)NCC(Cc1ccc2ccccc2c1)C(=O)O.
What is the InChIKey of 2-(naphthalen-2-ylmethyl)-3-[[2-(oxolan-2-yl)acetyl]amino]propanoic acid?
The InChIKey is NUOYHAFRNBSQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c22-19(12-18-6-3-9-25-18)21-13-17(20(23)24)11-14-7-8-15-4-1-2-5-16(15)10-14/h1-2,4-5,7-8,10,17-18H,3,6,9,11-13H2,(H,21,22)(H,23,24).
What are the key properties of 2-(naphthalen-2-ylmethyl)-3-[[2-(oxolan-2-yl)acetyl]amino]propanoic acid?
2-(naphthalen-2-ylmethyl)-3-[[2-(oxolan-2-yl)acetyl]amino]propanoic acid has a molecular weight of 341.41 g/mol, XLogP of 2.77, 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-(oxolan-2-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 119245385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).