2-[propyl(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)amino]acetic acid

C16H23NO2 — CID 122040027

IUPAC2-[propyl(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)amino]acetic acid
SMILESCCCN(CC(=O)O)Cc1ccc2c(c1)CCCC2
InChIInChI=1S/C16H23NO2/c1-2-9-17(12-16(18)19)11-13-7-8-14-5-3-4-6-15(14)10-13/h7-8,10H,2-6,9,11-12H2,1H3,(H,18,19)
InChIKeyPNBNEZYSZSGVNT-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.86
Rot. Bonds6

About 2-[propyl(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)amino]acetic acid

2-[propyl(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)amino]acetic acid (PubChem CID 122040027) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 2-[propyl(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[propyl(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)amino]acetic acid
PubChem CID122040027
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name2-[propyl(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)amino]acetic acid
SMILESCCCN(CC(=O)O)Cc1ccc2c(c1)CCCC2
InChIInChI=1S/C16H23NO2/c1-2-9-17(12-16(18)19)11-13-7-8-14-5-3-4-6-15(14)10-13/h7-8,10H,2-6,9,11-12H2,1H3,(H,18,19)
InChIKeyPNBNEZYSZSGVNT-UHFFFAOYSA-N
XLogP2.86
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(propyl)amino]acetic acid
CID 39364516
2-[(3-fluoro-4-methylphenyl)methyl-propylamino]acetic acid
CID 65064590
2-[(3-bromo-4-methylphenyl)methyl-propylamino]acetic acid
CID 105403617
2-[propyl-[(3-propylphenyl)methyl]amino]acetic acid
CID 122040180
2-[(6-methoxynaphthalen-2-yl)methyl-propylamino]acetic acid
CID 65064840
2-[(4-methoxyphenyl)methyl-propylamino]acetic acid
CID 55026148
2-[methyl-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]acetic acid
CID 43239744
4-[methyl(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)amino]butan-2-one
CID 115235761
2-[2-[bis(carboxymethyl)amino]ethyl-[[4-[[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]methyl]phenyl]methyl]amino]acetic acid
CID 163523536
2-[(4-methoxycarbonylphenyl)methyl-propylamino]acetic acid
CID 65064783
2-[2-methoxyethyl-[(1-methyl-2,3-dihydroindol-5-yl)methyl]amino]acetic acid
CID 65067451
2,3-dihydro-1H-inden-5-ylmethyl(methyl)carbamothioic S-acid
CID 115170087

Frequently Asked Questions

What is the IUPAC name of 2-[propyl(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)amino]acetic acid?
The IUPAC name of 2-[propyl(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)amino]acetic acid (CID 122040027) is 2-[propyl(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[propyl(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)amino]acetic acid?
The canonical SMILES for 2-[propyl(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)amino]acetic acid is CCCN(CC(=O)O)Cc1ccc2c(c1)CCCC2.
What is the InChIKey of 2-[propyl(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)amino]acetic acid?
The InChIKey is PNBNEZYSZSGVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-9-17(12-16(18)19)11-13-7-8-14-5-3-4-6-15(14)10-13/h7-8,10H,2-6,9,11-12H2,1H3,(H,18,19).
What are the key properties of 2-[propyl(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)amino]acetic acid?
2-[propyl(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)amino]acetic acid has a molecular weight of 261.36 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propyl(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)amino]acetic acid is sourced from PubChem (CID 122040027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).