2-(aminomethyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pentanoic acid

C17H25NO2 — CID 106488040

IUPAC2-(aminomethyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pentanoic acid
SMILESCCCC(CN)(CC1CCCc2ccccc21)C(=O)O
InChIInChI=1S/C17H25NO2/c1-2-10-17(12-18,16(19)20)11-14-8-5-7-13-6-3-4-9-15(13)14/h3-4,6,9,14H,2,5,7-8,10-12,18H2,1H3,(H,19,20)
InChIKeyXORVQXYQLCQMEP-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.33
Rot. Bonds6

About 2-(aminomethyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pentanoic acid

2-(aminomethyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pentanoic acid (PubChem CID 106488040) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-(aminomethyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pentanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pentanoic acid
PubChem CID106488040
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-(aminomethyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pentanoic acid
SMILESCCCC(CN)(CC1CCCc2ccccc21)C(=O)O
InChIInChI=1S/C17H25NO2/c1-2-10-17(12-18,16(19)20)11-14-8-5-7-13-6-3-4-9-15(13)14/h3-4,6,9,14H,2,5,7-8,10-12,18H2,1H3,(H,19,20)
InChIKeyXORVQXYQLCQMEP-UHFFFAOYSA-N
XLogP3.33
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanoic acid
CID 83051375
3,3-dimethyl-N-propyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-1-amine
CID 81022863
N-(1-aminopropan-2-yl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 119583689
7-amino-5,5-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)heptan-2-one
CID 116574746
[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine;hydrochloride
CID 171991657
N-(1-aminopropan-2-yl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride
CID 119583688
2,3-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol
CID 63770918
2-(4-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol
CID 63772987
2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)propanoic acid
CID 55242082
(2S)-2-amino-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)propanoic acid
CID 107773515
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
1-(ethylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
CID 116562462

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pentanoic acid?
The IUPAC name of 2-(aminomethyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pentanoic acid (CID 106488040) is 2-(aminomethyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pentanoic acid.
What is the SMILES notation for 2-(aminomethyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pentanoic acid?
The canonical SMILES for 2-(aminomethyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pentanoic acid is CCCC(CN)(CC1CCCc2ccccc21)C(=O)O.
What is the InChIKey of 2-(aminomethyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pentanoic acid?
The InChIKey is XORVQXYQLCQMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-2-10-17(12-18,16(19)20)11-14-8-5-7-13-6-3-4-9-15(13)14/h3-4,6,9,14H,2,5,7-8,10-12,18H2,1H3,(H,19,20).
What are the key properties of 2-(aminomethyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pentanoic acid?
2-(aminomethyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pentanoic acid has a molecular weight of 275.39 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pentanoic acid is sourced from PubChem (CID 106488040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).