3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butanoic acid

C14H19NO2 — CID 43652089

IUPAC3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butanoic acid
SMILESCC(CC(=O)O)NC1CCCc2ccccc21
InChIInChI=1S/C14H19NO2/c1-10(9-14(16)17)15-13-8-4-6-11-5-2-3-7-12(11)13/h2-3,5,7,10,13,15H,4,6,8-9H2,1H3,(H,16,17)
InChIKeyFIOMEOWTJHENFN-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.52
Rot. Bonds4

About 3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butanoic acid

3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butanoic acid (PubChem CID 43652089) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butanoic acid.

Molecular Properties

Compound Name3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butanoic acid
PubChem CID43652089
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butanoic acid
SMILESCC(CC(=O)O)NC1CCCc2ccccc21
InChIInChI=1S/C14H19NO2/c1-10(9-14(16)17)15-13-8-4-6-11-5-2-3-7-12(11)13/h2-3,5,7,10,13,15H,4,6,8-9H2,1H3,(H,16,17)
InChIKeyFIOMEOWTJHENFN-UHFFFAOYSA-N
XLogP2.52
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine;(1R)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 158216876
N-(1-cyclopropylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63988882
1-N,1-N-dimethyl-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propane-1,2-diamine
CID 82946230
N-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43191940
N-[(2R)-4-oxo-4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]butan-2-yl]benzamide
CID 32745629
(2R)-2-(2,3-dihydro-1H-inden-1-ylamino)propan-1-ol
CID 114986954
2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pentanoic acid
CID 65054889
3-(2,3-dihydro-1H-indene-1-carbonylamino)butanoic acid
CID 119221067
2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoic acid
CID 43652090
N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 78956142
(2R)-2-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)propanoic acid
CID 78988055
N-(1-methylsulfanylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 115721717

Frequently Asked Questions

What is the IUPAC name of 3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butanoic acid?
The IUPAC name of 3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butanoic acid (CID 43652089) is 3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butanoic acid.
What is the SMILES notation for 3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butanoic acid?
The canonical SMILES for 3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butanoic acid is CC(CC(=O)O)NC1CCCc2ccccc21.
What is the InChIKey of 3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butanoic acid?
The InChIKey is FIOMEOWTJHENFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10(9-14(16)17)15-13-8-4-6-11-5-2-3-7-12(11)13/h2-3,5,7,10,13,15H,4,6,8-9H2,1H3,(H,16,17).
What are the key properties of 3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butanoic acid?
3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butanoic acid has a molecular weight of 233.31 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butanoic acid is sourced from PubChem (CID 43652089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).