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

C15H21NO2 — CID 65054889

IUPAC2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pentanoic acid
SMILESCCCC(NC1CCCc2ccccc21)C(=O)O
InChIInChI=1S/C15H21NO2/c1-2-6-14(15(17)18)16-13-10-5-8-11-7-3-4-9-12(11)13/h3-4,7,9,13-14,16H,2,5-6,8,10H2,1H3,(H,17,18)
InChIKeyFKXNFZOXKTUIGD-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.91
Rot. Bonds5

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

2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pentanoic acid (PubChem CID 65054889) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pentanoic acid.

Molecular Properties

Compound Name2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pentanoic acid
PubChem CID65054889
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pentanoic acid
SMILESCCCC(NC1CCCc2ccccc21)C(=O)O
InChIInChI=1S/C15H21NO2/c1-2-6-14(15(17)18)16-13-10-5-8-11-7-3-4-9-12(11)13/h3-4,7,9,13-14,16H,2,5-6,8,10H2,1H3,(H,17,18)
InChIKeyFKXNFZOXKTUIGD-UHFFFAOYSA-N
XLogP2.91
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(2-oxocyclopentyl)amino]pentanoic acid
CID 175738929
2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoic acid
CID 43652090
3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butanoic acid
CID 43652089
2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]pentanoic acid
CID 83069027
(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
2-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)butanoic acid
CID 80541261
(2R)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-1-ol
CID 103922723
N-hex-1-yn-3-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 106226695
(2S)-3-phenyl-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]propanoic acid
CID 944231
N-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetamide
CID 43400828
N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 78956142
2-(9H-fluoren-9-ylamino)pentanoic acid
CID 65054645

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pentanoic acid?
The IUPAC name of 2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pentanoic acid (CID 65054889) is 2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pentanoic acid.
What is the SMILES notation for 2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pentanoic acid?
The canonical SMILES for 2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pentanoic acid is CCCC(NC1CCCc2ccccc21)C(=O)O.
What is the InChIKey of 2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pentanoic acid?
The InChIKey is FKXNFZOXKTUIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-6-14(15(17)18)16-13-10-5-8-11-7-3-4-9-12(11)13/h3-4,7,9,13-14,16H,2,5-6,8,10H2,1H3,(H,17,18).
What are the key properties of 2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pentanoic acid?
2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pentanoic acid has a molecular weight of 247.34 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pentanoic acid is sourced from PubChem (CID 65054889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).