(1S,2R)-1-acetamido-2-methyl-1H-naphthalene-2-carboxylic acid

C14H15NO3 — CID 10490573

IUPAC(1S,2R)-1-acetamido-2-methyl-1H-naphthalene-2-carboxylic acid
SMILESCC(=O)N[C@H]1c2ccccc2C=C[C@@]1(C)C(=O)O
InChIInChI=1S/C14H15NO3/c1-9(16)15-12-11-6-4-3-5-10(11)7-8-14(12,2)13(17)18/h3-8,12H,1-2H3,(H,15,16)(H,17,18)/t12-,14+/m0/s1
InChIKeyOJPCLSBBZNZVRD-GXTWGEPZSA-N
MW245.28 g/mol
LogP1.98
Rot. Bonds2

About (1S,2R)-1-acetamido-2-methyl-1H-naphthalene-2-carboxylic acid

(1S,2R)-1-acetamido-2-methyl-1H-naphthalene-2-carboxylic acid (PubChem CID 10490573) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is (1S,2R)-1-acetamido-2-methyl-1H-naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name(1S,2R)-1-acetamido-2-methyl-1H-naphthalene-2-carboxylic acid
PubChem CID10490573
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name(1S,2R)-1-acetamido-2-methyl-1H-naphthalene-2-carboxylic acid
SMILESCC(=O)N[C@H]1c2ccccc2C=C[C@@]1(C)C(=O)O
InChIInChI=1S/C14H15NO3/c1-9(16)15-12-11-6-4-3-5-10(11)7-8-14(12,2)13(17)18/h3-8,12H,1-2H3,(H,15,16)(H,17,18)/t12-,14+/m0/s1
InChIKeyOJPCLSBBZNZVRD-GXTWGEPZSA-N
XLogP1.98
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-acetamido-2-methyl-1H-naphthalene-2-carboxylic acid?
The IUPAC name of (1S,2R)-1-acetamido-2-methyl-1H-naphthalene-2-carboxylic acid (CID 10490573) is (1S,2R)-1-acetamido-2-methyl-1H-naphthalene-2-carboxylic acid.
What is the SMILES notation for (1S,2R)-1-acetamido-2-methyl-1H-naphthalene-2-carboxylic acid?
The canonical SMILES for (1S,2R)-1-acetamido-2-methyl-1H-naphthalene-2-carboxylic acid is CC(=O)N[C@H]1c2ccccc2C=C[C@@]1(C)C(=O)O.
What is the InChIKey of (1S,2R)-1-acetamido-2-methyl-1H-naphthalene-2-carboxylic acid?
The InChIKey is OJPCLSBBZNZVRD-GXTWGEPZSA-N. The full InChI is InChI=1S/C14H15NO3/c1-9(16)15-12-11-6-4-3-5-10(11)7-8-14(12,2)13(17)18/h3-8,12H,1-2H3,(H,15,16)(H,17,18)/t12-,14+/m0/s1.
What are the key properties of (1S,2R)-1-acetamido-2-methyl-1H-naphthalene-2-carboxylic acid?
(1S,2R)-1-acetamido-2-methyl-1H-naphthalene-2-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-acetamido-2-methyl-1H-naphthalene-2-carboxylic acid is sourced from PubChem (CID 10490573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).