(2S)-3-methyl-2-(naphthalen-2-ylamino)butanoic acid

C15H17NO2 — CID 71423329

IUPAC(2S)-3-methyl-2-(naphthalen-2-ylamino)butanoic acid
SMILESCC(C)[C@H](Nc1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C15H17NO2/c1-10(2)14(15(17)18)16-13-8-7-11-5-3-4-6-12(11)9-13/h3-10,14,16H,1-2H3,(H,17,18)/t14-/m0/s1
InChIKeyIIWMZLPGFBBSJO-AWEZNQCLSA-N
MW243.31 g/mol
LogP3.36
Rot. Bonds4

About (2S)-3-methyl-2-(naphthalen-2-ylamino)butanoic acid

(2S)-3-methyl-2-(naphthalen-2-ylamino)butanoic acid (PubChem CID 71423329) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is (2S)-3-methyl-2-(naphthalen-2-ylamino)butanoic acid.

Molecular Properties

Compound Name(2S)-3-methyl-2-(naphthalen-2-ylamino)butanoic acid
PubChem CID71423329
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name(2S)-3-methyl-2-(naphthalen-2-ylamino)butanoic acid
SMILESCC(C)[C@H](Nc1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C15H17NO2/c1-10(2)14(15(17)18)16-13-8-7-11-5-3-4-6-12(11)9-13/h3-10,14,16H,1-2H3,(H,17,18)/t14-/m0/s1
InChIKeyIIWMZLPGFBBSJO-AWEZNQCLSA-N
XLogP3.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-(naphthalen-2-ylamino)butanoic acid?
The IUPAC name of (2S)-3-methyl-2-(naphthalen-2-ylamino)butanoic acid (CID 71423329) is (2S)-3-methyl-2-(naphthalen-2-ylamino)butanoic acid.
What is the SMILES notation for (2S)-3-methyl-2-(naphthalen-2-ylamino)butanoic acid?
The canonical SMILES for (2S)-3-methyl-2-(naphthalen-2-ylamino)butanoic acid is CC(C)[C@H](Nc1ccc2ccccc2c1)C(=O)O.
What is the InChIKey of (2S)-3-methyl-2-(naphthalen-2-ylamino)butanoic acid?
The InChIKey is IIWMZLPGFBBSJO-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H17NO2/c1-10(2)14(15(17)18)16-13-8-7-11-5-3-4-6-12(11)9-13/h3-10,14,16H,1-2H3,(H,17,18)/t14-/m0/s1.
What are the key properties of (2S)-3-methyl-2-(naphthalen-2-ylamino)butanoic acid?
(2S)-3-methyl-2-(naphthalen-2-ylamino)butanoic acid has a molecular weight of 243.31 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-(naphthalen-2-ylamino)butanoic acid is sourced from PubChem (CID 71423329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).