3-[cyclopentyl-[(2-methoxynaphthalen-1-yl)methyl]amino]propanoic acid

C20H25NO3 — CID 119135272

IUPAC3-[cyclopentyl-[(2-methoxynaphthalen-1-yl)methyl]amino]propanoic acid
SMILESCOc1ccc2ccccc2c1CN(CCC(=O)O)C1CCCC1
InChIInChI=1S/C20H25NO3/c1-24-19-11-10-15-6-2-5-9-17(15)18(19)14-21(13-12-20(22)23)16-7-3-4-8-16/h2,5-6,9-11,16H,3-4,7-8,12-14H2,1H3,(H,22,23)
InChIKeyREQDFLGRAZVIOF-UHFFFAOYSA-N
MW327.42 g/mol
LogP4.07
Rot. Bonds7

About 3-[cyclopentyl-[(2-methoxynaphthalen-1-yl)methyl]amino]propanoic acid

3-[cyclopentyl-[(2-methoxynaphthalen-1-yl)methyl]amino]propanoic acid (PubChem CID 119135272) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 3-[cyclopentyl-[(2-methoxynaphthalen-1-yl)methyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopentyl-[(2-methoxynaphthalen-1-yl)methyl]amino]propanoic acid
PubChem CID119135272
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name3-[cyclopentyl-[(2-methoxynaphthalen-1-yl)methyl]amino]propanoic acid
SMILESCOc1ccc2ccccc2c1CN(CCC(=O)O)C1CCCC1
InChIInChI=1S/C20H25NO3/c1-24-19-11-10-15-6-2-5-9-17(15)18(19)14-21(13-12-20(22)23)16-7-3-4-8-16/h2,5-6,9-11,16H,3-4,7-8,12-14H2,1H3,(H,22,23)
InChIKeyREQDFLGRAZVIOF-UHFFFAOYSA-N
XLogP4.07
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopentyl-[(2-methoxynaphthalen-1-yl)methyl]amino]propanoic acid?
The IUPAC name of 3-[cyclopentyl-[(2-methoxynaphthalen-1-yl)methyl]amino]propanoic acid (CID 119135272) is 3-[cyclopentyl-[(2-methoxynaphthalen-1-yl)methyl]amino]propanoic acid.
What is the SMILES notation for 3-[cyclopentyl-[(2-methoxynaphthalen-1-yl)methyl]amino]propanoic acid?
The canonical SMILES for 3-[cyclopentyl-[(2-methoxynaphthalen-1-yl)methyl]amino]propanoic acid is COc1ccc2ccccc2c1CN(CCC(=O)O)C1CCCC1.
What is the InChIKey of 3-[cyclopentyl-[(2-methoxynaphthalen-1-yl)methyl]amino]propanoic acid?
The InChIKey is REQDFLGRAZVIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-24-19-11-10-15-6-2-5-9-17(15)18(19)14-21(13-12-20(22)23)16-7-3-4-8-16/h2,5-6,9-11,16H,3-4,7-8,12-14H2,1H3,(H,22,23).
What are the key properties of 3-[cyclopentyl-[(2-methoxynaphthalen-1-yl)methyl]amino]propanoic acid?
3-[cyclopentyl-[(2-methoxynaphthalen-1-yl)methyl]amino]propanoic acid has a molecular weight of 327.42 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopentyl-[(2-methoxynaphthalen-1-yl)methyl]amino]propanoic acid is sourced from PubChem (CID 119135272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).