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

C19H21NO4 — CID 120519197

IUPAC2-[cyclopropyl-[2-(7-methoxynaphthalen-1-yl)acetyl]amino]propanoic acid
SMILESCOc1ccc2cccc(CC(=O)N(C3CC3)C(C)C(=O)O)c2c1
InChIInChI=1S/C19H21NO4/c1-12(19(22)23)20(15-7-8-15)18(21)10-14-5-3-4-13-6-9-16(24-2)11-17(13)14/h3-6,9,11-12,15H,7-8,10H2,1-2H3,(H,22,23)
InChIKeyJDGDZIFHSJQARA-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.86
Rot. Bonds6

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

2-[cyclopropyl-[2-(7-methoxynaphthalen-1-yl)acetyl]amino]propanoic acid (PubChem CID 120519197) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-(7-methoxynaphthalen-1-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[2-(7-methoxynaphthalen-1-yl)acetyl]amino]propanoic acid
PubChem CID120519197
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name2-[cyclopropyl-[2-(7-methoxynaphthalen-1-yl)acetyl]amino]propanoic acid
SMILESCOc1ccc2cccc(CC(=O)N(C3CC3)C(C)C(=O)O)c2c1
InChIInChI=1S/C19H21NO4/c1-12(19(22)23)20(15-7-8-15)18(21)10-14-5-3-4-13-6-9-16(24-2)11-17(13)14/h3-6,9,11-12,15H,7-8,10H2,1-2H3,(H,22,23)
InChIKeyJDGDZIFHSJQARA-UHFFFAOYSA-N
XLogP2.86
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-2-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]propanoic acid
CID 120535790
1-cyclopropyl-3-(7-methoxynaphthalen-1-yl)propan-2-one
CID 113325067
2-[cyclopropyl-[2-(4-methoxyphenyl)propanoyl]amino]propanoic acid
CID 119203577
2-[cyclopropyl-[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]propanoic acid
CID 120686387
cis-(1R,3S)-3-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120678697
1-(7-methoxynaphthalen-1-yl)-3-methylbut-3-en-2-one
CID 113325070
N-(3-fluoro-2-pyridinyl)-2-(7-methoxynaphthalen-1-yl)-N-methylacetamide
CID 84589890
N-[(7-methoxynaphthalen-1-yl)methoxy]cyclopropanecarboxamide
CID 19967333
2-[cyclopropyl-[2-(3-nitrophenyl)acetyl]amino]propanoic acid
CID 119202503
2-[cyclopropyl-[2-(2,4,5-trifluorophenyl)acetyl]amino]propanoic acid
CID 122067370
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

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[2-(7-methoxynaphthalen-1-yl)acetyl]amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl-[2-(7-methoxynaphthalen-1-yl)acetyl]amino]propanoic acid (CID 120519197) is 2-[cyclopropyl-[2-(7-methoxynaphthalen-1-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl-[2-(7-methoxynaphthalen-1-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl-[2-(7-methoxynaphthalen-1-yl)acetyl]amino]propanoic acid is COc1ccc2cccc(CC(=O)N(C3CC3)C(C)C(=O)O)c2c1.
What is the InChIKey of 2-[cyclopropyl-[2-(7-methoxynaphthalen-1-yl)acetyl]amino]propanoic acid?
The InChIKey is JDGDZIFHSJQARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-12(19(22)23)20(15-7-8-15)18(21)10-14-5-3-4-13-6-9-16(24-2)11-17(13)14/h3-6,9,11-12,15H,7-8,10H2,1-2H3,(H,22,23).
What are the key properties of 2-[cyclopropyl-[2-(7-methoxynaphthalen-1-yl)acetyl]amino]propanoic acid?
2-[cyclopropyl-[2-(7-methoxynaphthalen-1-yl)acetyl]amino]propanoic acid has a molecular weight of 327.38 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[2-(7-methoxynaphthalen-1-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 120519197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).