2-hydroxy-3-[(1-methylnaphthalen-2-yl)methylamino]propanoic acid

C15H17NO3 — CID 166282885

IUPAC2-hydroxy-3-[(1-methylnaphthalen-2-yl)methylamino]propanoic acid
SMILESCc1c(CNCC(O)C(=O)O)ccc2ccccc12
InChIInChI=1S/C15H17NO3/c1-10-12(8-16-9-14(17)15(18)19)7-6-11-4-2-3-5-13(10)11/h2-7,14,16-17H,8-9H2,1H3,(H,18,19)
InChIKeyVKRAREHSEZLASN-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.68
Rot. Bonds5

About 2-hydroxy-3-[(1-methylnaphthalen-2-yl)methylamino]propanoic acid

2-hydroxy-3-[(1-methylnaphthalen-2-yl)methylamino]propanoic acid (PubChem CID 166282885) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-hydroxy-3-[(1-methylnaphthalen-2-yl)methylamino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[(1-methylnaphthalen-2-yl)methylamino]propanoic acid
PubChem CID166282885
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name2-hydroxy-3-[(1-methylnaphthalen-2-yl)methylamino]propanoic acid
SMILESCc1c(CNCC(O)C(=O)O)ccc2ccccc12
InChIInChI=1S/C15H17NO3/c1-10-12(8-16-9-14(17)15(18)19)7-6-11-4-2-3-5-13(10)11/h2-7,14,16-17H,8-9H2,1H3,(H,18,19)
InChIKeyVKRAREHSEZLASN-UHFFFAOYSA-N
XLogP1.68
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[(1-methylnaphthalen-2-yl)methylamino]propanoic acid?
The IUPAC name of 2-hydroxy-3-[(1-methylnaphthalen-2-yl)methylamino]propanoic acid (CID 166282885) is 2-hydroxy-3-[(1-methylnaphthalen-2-yl)methylamino]propanoic acid.
What is the SMILES notation for 2-hydroxy-3-[(1-methylnaphthalen-2-yl)methylamino]propanoic acid?
The canonical SMILES for 2-hydroxy-3-[(1-methylnaphthalen-2-yl)methylamino]propanoic acid is Cc1c(CNCC(O)C(=O)O)ccc2ccccc12.
What is the InChIKey of 2-hydroxy-3-[(1-methylnaphthalen-2-yl)methylamino]propanoic acid?
The InChIKey is VKRAREHSEZLASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-10-12(8-16-9-14(17)15(18)19)7-6-11-4-2-3-5-13(10)11/h2-7,14,16-17H,8-9H2,1H3,(H,18,19).
What are the key properties of 2-hydroxy-3-[(1-methylnaphthalen-2-yl)methylamino]propanoic acid?
2-hydroxy-3-[(1-methylnaphthalen-2-yl)methylamino]propanoic acid has a molecular weight of 259.31 g/mol, XLogP of 1.68, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[(1-methylnaphthalen-2-yl)methylamino]propanoic acid is sourced from PubChem (CID 166282885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).