3-cyclopropyl-2-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]propanoic acid

C19H21NO4 — CID 120535790

IUPAC3-cyclopropyl-2-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]propanoic acid
SMILESCOc1ccc2cccc(CC(=O)NC(CC3CC3)C(=O)O)c2c1
InChIInChI=1S/C19H21NO4/c1-24-15-8-7-13-3-2-4-14(16(13)11-15)10-18(21)20-17(19(22)23)9-12-5-6-12/h2-4,7-8,11-12,17H,5-6,9-10H2,1H3,(H,20,21)(H,22,23)
InChIKeyGGOSBBICZAPOBN-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.76
Rot. Bonds7

About 3-cyclopropyl-2-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]propanoic acid

3-cyclopropyl-2-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]propanoic acid (PubChem CID 120535790) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 3-cyclopropyl-2-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-2-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]propanoic acid
PubChem CID120535790
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name3-cyclopropyl-2-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]propanoic acid
SMILESCOc1ccc2cccc(CC(=O)NC(CC3CC3)C(=O)O)c2c1
InChIInChI=1S/C19H21NO4/c1-24-15-8-7-13-3-2-4-14(16(13)11-15)10-18(21)20-17(19(22)23)9-12-5-6-12/h2-4,7-8,11-12,17H,5-6,9-10H2,1H3,(H,20,21)(H,22,23)
InChIKeyGGOSBBICZAPOBN-UHFFFAOYSA-N
XLogP2.76
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-cyclopropyl-2-[[2-(7-methoxynaphthalen-1-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

1-cyclopropyl-3-(7-methoxynaphthalen-1-yl)propan-2-one
CID 113325067
2-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]-2-(oxan-3-yl)acetic acid
CID 120548031
N-(2-cyclopentyl-2-hydroxyethyl)-2-(7-methoxynaphthalen-1-yl)acetamide
CID 109380188
cis-(1R,3S)-3-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120678697
3-cyclopropyl-2-[3-(4-methoxyphenyl)pentanoylamino]propanoic acid
CID 120689554
2-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]cyclopentane-1-carboxamide
CID 75388302
1-cyclopropyl-2-(7-methoxynaphthalen-1-yl)ethanamine
CID 115506198
2-[cyclopropyl-[2-(7-methoxynaphthalen-1-yl)acetyl]amino]propanoic acid
CID 120519197
2-[[2-(2-chloro-6-methoxyphenyl)acetyl]amino]-3-cyclopropylpropanoic acid
CID 120689537
4-cyclopropyl-1-(7-methoxynaphthalen-1-yl)-N-methylbutan-2-amine
CID 115506243
N-(2-hydroxy-4-methylpentyl)-2-(7-methoxynaphthalen-1-yl)acetamide
CID 109380191
(2S)-3-cyclohexyl-2-[(3-methoxyphenyl)methoxycarbonylamino]propanoic acid
CID 23383098

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]propanoic acid?
The IUPAC name of 3-cyclopropyl-2-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]propanoic acid (CID 120535790) is 3-cyclopropyl-2-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-2-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 3-cyclopropyl-2-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]propanoic acid is COc1ccc2cccc(CC(=O)NC(CC3CC3)C(=O)O)c2c1.
What is the InChIKey of 3-cyclopropyl-2-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]propanoic acid?
The InChIKey is GGOSBBICZAPOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-24-15-8-7-13-3-2-4-14(16(13)11-15)10-18(21)20-17(19(22)23)9-12-5-6-12/h2-4,7-8,11-12,17H,5-6,9-10H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 3-cyclopropyl-2-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]propanoic acid?
3-cyclopropyl-2-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]propanoic acid has a molecular weight of 327.38 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 120535790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).