2-[propyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid

C15H21NO2 — CID 65064550

IUPAC2-[propyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid
SMILESCCCN(CC(=O)O)C1CCCc2ccccc21
InChIInChI=1S/C15H21NO2/c1-2-10-16(11-15(17)18)14-9-5-7-12-6-3-4-8-13(12)14/h3-4,6,8,14H,2,5,7,9-11H2,1H3,(H,17,18)
InChIKeyPKTSBCJYBPDMCE-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.86
Rot. Bonds5

About 2-[propyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid

2-[propyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid (PubChem CID 65064550) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[propyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[propyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid
PubChem CID65064550
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-[propyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid
SMILESCCCN(CC(=O)O)C1CCCc2ccccc21
InChIInChI=1S/C15H21NO2/c1-2-10-16(11-15(17)18)14-9-5-7-12-6-3-4-8-13(12)14/h3-4,6,8,14H,2,5,7,9-11H2,1H3,(H,17,18)
InChIKeyPKTSBCJYBPDMCE-UHFFFAOYSA-N
XLogP2.86
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[carboxymethyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetic acid
CID 118026801
2-[2-methylpropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid
CID 65064011
2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetic acid
CID 118026509
2-[propan-2-yl(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)amino]acetic acid
CID 65056941
2-[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-prop-2-enylacetamide
CID 111332324
2-[2,3-dihydro-1H-inden-2-yl(propyl)amino]acetic acid
CID 65065076
2-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]-N-propan-2-ylacetamide
CID 111333591
2-[2,3-dihydro-1H-inden-1-yl(3-hydroxypropyl)amino]-N-methyl-N-phenylacetamide
CID 111332362
2-[ethyl-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid
CID 79248400
2-[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 111436327
2-[2-methylsulfonylethyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethanol
CID 96547860
2,3-dihydro-1H-inden-1-yl(methoxy)carbamic acid
CID 87438864

Frequently Asked Questions

What is the IUPAC name of 2-[propyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid?
The IUPAC name of 2-[propyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid (CID 65064550) is 2-[propyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid.
What is the SMILES notation for 2-[propyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid?
The canonical SMILES for 2-[propyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid is CCCN(CC(=O)O)C1CCCc2ccccc21.
What is the InChIKey of 2-[propyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid?
The InChIKey is PKTSBCJYBPDMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-10-16(11-15(17)18)14-9-5-7-12-6-3-4-8-13(12)14/h3-4,6,8,14H,2,5,7,9-11H2,1H3,(H,17,18).
What are the key properties of 2-[propyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid?
2-[propyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid has a molecular weight of 247.34 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid is sourced from PubChem (CID 65064550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).