2-naphthalen-2-yl-2-[3-(oxolan-2-yl)propanoylamino]acetic acid

C19H21NO4 — CID 120543472

IUPAC2-naphthalen-2-yl-2-[3-(oxolan-2-yl)propanoylamino]acetic acid
SMILESO=C(CCC1CCCO1)NC(C(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C19H21NO4/c21-17(10-9-16-6-3-11-24-16)20-18(19(22)23)15-8-7-13-4-1-2-5-14(13)12-15/h1-2,4-5,7-8,12,16,18H,3,6,9-11H2,(H,20,21)(H,22,23)
InChIKeyDFLAPAVRBHXDBG-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.04
Rot. Bonds6

About 2-naphthalen-2-yl-2-[3-(oxolan-2-yl)propanoylamino]acetic acid

2-naphthalen-2-yl-2-[3-(oxolan-2-yl)propanoylamino]acetic acid (PubChem CID 120543472) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-naphthalen-2-yl-2-[3-(oxolan-2-yl)propanoylamino]acetic acid.

Molecular Properties

Compound Name2-naphthalen-2-yl-2-[3-(oxolan-2-yl)propanoylamino]acetic acid
PubChem CID120543472
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name2-naphthalen-2-yl-2-[3-(oxolan-2-yl)propanoylamino]acetic acid
SMILESO=C(CCC1CCCO1)NC(C(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C19H21NO4/c21-17(10-9-16-6-3-11-24-16)20-18(19(22)23)15-8-7-13-4-1-2-5-14(13)12-15/h1-2,4-5,7-8,12,16,18H,3,6,9-11H2,(H,20,21)(H,22,23)
InChIKeyDFLAPAVRBHXDBG-UHFFFAOYSA-N
XLogP3.04
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-naphthalen-2-yl-2-[3-(oxolan-2-yl)propanoylamino]acetic 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-(3-cyclobutylpropanoylamino)-2-naphthalen-2-ylacetic acid
CID 120543456
N-(2-amino-1-naphthalen-2-ylethyl)-3-(oxan-2-yl)propanamide
CID 120567831
(2R)-2-[[2-(oxolan-2-yl)acetyl]amino]-2-phenylacetic acid
CID 65156988
(2S)-2-[[2-(oxolan-2-yl)acetyl]amino]-2-phenylacetic acid
CID 103804697
(2S)-2-[[2-[(2S)-oxolan-2-yl]acetyl]amino]-2-phenylacetic acid
CID 124559457
2-naphthalen-2-yl-2-(oxane-2-carbonylamino)acetic acid
CID 120543519
2-naphthalen-2-yl-2-(pentanoylamino)acetic acid
CID 120543531
3-[(2S)-oxolan-2-yl]-N-[phenyl(pyridin-4-yl)methyl]propanamide
CID 166301428
N-(2-amino-1-naphthalen-2-ylethyl)-2-(oxolan-2-yl)acetamide;hydrochloride
CID 120567600
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-(oxolan-2-yl)propanamide
CID 107861226
4-[3-(oxan-2-yl)propanoylamino]-4-phenylbutanoic acid
CID 119201385
N-[1-(3-fluoro-4-methylphenyl)ethyl]-3-(oxolan-2-yl)propanamide
CID 71856408

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-2-[3-(oxolan-2-yl)propanoylamino]acetic acid?
The IUPAC name of 2-naphthalen-2-yl-2-[3-(oxolan-2-yl)propanoylamino]acetic acid (CID 120543472) is 2-naphthalen-2-yl-2-[3-(oxolan-2-yl)propanoylamino]acetic acid.
What is the SMILES notation for 2-naphthalen-2-yl-2-[3-(oxolan-2-yl)propanoylamino]acetic acid?
The canonical SMILES for 2-naphthalen-2-yl-2-[3-(oxolan-2-yl)propanoylamino]acetic acid is O=C(CCC1CCCO1)NC(C(=O)O)c1ccc2ccccc2c1.
What is the InChIKey of 2-naphthalen-2-yl-2-[3-(oxolan-2-yl)propanoylamino]acetic acid?
The InChIKey is DFLAPAVRBHXDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c21-17(10-9-16-6-3-11-24-16)20-18(19(22)23)15-8-7-13-4-1-2-5-14(13)12-15/h1-2,4-5,7-8,12,16,18H,3,6,9-11H2,(H,20,21)(H,22,23).
What are the key properties of 2-naphthalen-2-yl-2-[3-(oxolan-2-yl)propanoylamino]acetic acid?
2-naphthalen-2-yl-2-[3-(oxolan-2-yl)propanoylamino]acetic acid has a molecular weight of 327.38 g/mol, XLogP of 3.04, 6 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-[3-(oxolan-2-yl)propanoylamino]acetic acid is sourced from PubChem (CID 120543472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).