2-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propanoic acid

C14H19NO2 — CID 43538421

IUPAC2-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propanoic acid
SMILESCC(CNc1cccc2c1CCCC2)C(=O)O
InChIInChI=1S/C14H19NO2/c1-10(14(16)17)9-15-13-8-4-6-11-5-2-3-7-12(11)13/h4,6,8,10,15H,2-3,5,7,9H2,1H3,(H,16,17)
InChIKeyUZOQWZATJKBQMZ-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.70
Rot. Bonds4

About 2-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propanoic acid

2-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propanoic acid (PubChem CID 43538421) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propanoic acid
PubChem CID43538421
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propanoic acid
SMILESCC(CNc1cccc2c1CCCC2)C(=O)O
InChIInChI=1S/C14H19NO2/c1-10(14(16)17)9-15-13-8-4-6-11-5-2-3-7-12(11)13/h4,6,8,10,15H,2-3,5,7,9H2,1H3,(H,16,17)
InChIKeyUZOQWZATJKBQMZ-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propanoic acid?
The IUPAC name of 2-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propanoic acid (CID 43538421) is 2-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propanoic acid.
What is the SMILES notation for 2-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propanoic acid?
The canonical SMILES for 2-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propanoic acid is CC(CNc1cccc2c1CCCC2)C(=O)O.
What is the InChIKey of 2-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propanoic acid?
The InChIKey is UZOQWZATJKBQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10(14(16)17)9-15-13-8-4-6-11-5-2-3-7-12(11)13/h4,6,8,10,15H,2-3,5,7,9H2,1H3,(H,16,17).
What are the key properties of 2-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propanoic acid?
2-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propanoic acid has a molecular weight of 233.31 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propanoic acid is sourced from PubChem (CID 43538421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).