3-[methyl-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]propanoic acid

C16H21NO3 — CID 60989072

IUPAC3-[methyl-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)Cc1ccc2c(c1)CCCC2
InChIInChI=1S/C16H21NO3/c1-17(9-8-16(19)20)15(18)11-12-6-7-13-4-2-3-5-14(13)10-12/h6-7,10H,2-5,8-9,11H2,1H3,(H,19,20)
InChIKeyBIBXXHLXSBTXLK-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.04
Rot. Bonds5

About 3-[methyl-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]propanoic acid

3-[methyl-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]propanoic acid (PubChem CID 60989072) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-[methyl-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]propanoic acid
PubChem CID60989072
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name3-[methyl-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)Cc1ccc2c(c1)CCCC2
InChIInChI=1S/C16H21NO3/c1-17(9-8-16(19)20)15(18)11-12-6-7-13-4-2-3-5-14(13)10-12/h6-7,10H,2-5,8-9,11H2,1H3,(H,19,20)
InChIKeyBIBXXHLXSBTXLK-UHFFFAOYSA-N
XLogP2.04
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[methyl-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]propanoic acid with MolForge

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Related Compounds

4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-methylamino]butanoic acid
CID 43240409
2-[methyl-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]acetic acid
CID 43239744
2-(2,3-dihydro-1H-inden-5-yl)-N-methyl-N-(4-phenylbutyl)acetamide
CID 112837369
3-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-(2-methylpropyl)amino]propanoic acid
CID 119190719
N-[2-(2-hydroxyphenyl)ethyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 75454981
3-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-methylamino]propanoic acid
CID 60989186
3-[3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanoyl-methylamino]propanoic acid
CID 119233149
3-[methyl-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]propanoic acid
CID 82136249
2-(2,3-dihydro-1H-inden-5-yl)-N-[3-(4-fluorophenoxy)propyl]-N-methylacetamide
CID 112822520
3-(2,3-dihydro-1H-inden-5-yl)propanoic acid
CID 12646159
3-[methyl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanoic acid
CID 60988760
4-[methyl(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)amino]butan-2-one
CID 115235761

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]propanoic acid?
The IUPAC name of 3-[methyl-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]propanoic acid (CID 60989072) is 3-[methyl-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 3-[methyl-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 3-[methyl-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]propanoic acid is CN(CCC(=O)O)C(=O)Cc1ccc2c(c1)CCCC2.
What is the InChIKey of 3-[methyl-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]propanoic acid?
The InChIKey is BIBXXHLXSBTXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-17(9-8-16(19)20)15(18)11-12-6-7-13-4-2-3-5-14(13)10-12/h6-7,10H,2-5,8-9,11H2,1H3,(H,19,20).
What are the key properties of 3-[methyl-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]propanoic acid?
3-[methyl-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]propanoic acid has a molecular weight of 275.35 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 60989072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).