(2S)-4-methyl-2-(naphthalen-1-ylamino)pentanoic acid

C16H19NO2 — CID 14746886

IUPAC(2S)-4-methyl-2-(naphthalen-1-ylamino)pentanoic acid
SMILESCC(C)C[C@H](Nc1cccc2ccccc12)C(=O)O
InChIInChI=1S/C16H19NO2/c1-11(2)10-15(16(18)19)17-14-9-5-7-12-6-3-4-8-13(12)14/h3-9,11,15,17H,10H2,1-2H3,(H,18,19)/t15-/m0/s1
InChIKeyTVJZGCXXFRSKFM-HNNXBMFYSA-N
MW257.33 g/mol
LogP3.75
Rot. Bonds5

About (2S)-4-methyl-2-(naphthalen-1-ylamino)pentanoic acid

(2S)-4-methyl-2-(naphthalen-1-ylamino)pentanoic acid (PubChem CID 14746886) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is (2S)-4-methyl-2-(naphthalen-1-ylamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-(naphthalen-1-ylamino)pentanoic acid
PubChem CID14746886
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name(2S)-4-methyl-2-(naphthalen-1-ylamino)pentanoic acid
SMILESCC(C)C[C@H](Nc1cccc2ccccc12)C(=O)O
InChIInChI=1S/C16H19NO2/c1-11(2)10-15(16(18)19)17-14-9-5-7-12-6-3-4-8-13(12)14/h3-9,11,15,17H,10H2,1-2H3,(H,18,19)/t15-/m0/s1
InChIKeyTVJZGCXXFRSKFM-HNNXBMFYSA-N
XLogP3.75
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-4-methyl-2-(naphthalen-1-ylamino)pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-(naphthalen-1-ylamino)pentanoic acid?
The IUPAC name of (2S)-4-methyl-2-(naphthalen-1-ylamino)pentanoic acid (CID 14746886) is (2S)-4-methyl-2-(naphthalen-1-ylamino)pentanoic acid.
What is the SMILES notation for (2S)-4-methyl-2-(naphthalen-1-ylamino)pentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-(naphthalen-1-ylamino)pentanoic acid is CC(C)C[C@H](Nc1cccc2ccccc12)C(=O)O.
What is the InChIKey of (2S)-4-methyl-2-(naphthalen-1-ylamino)pentanoic acid?
The InChIKey is TVJZGCXXFRSKFM-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-11(2)10-15(16(18)19)17-14-9-5-7-12-6-3-4-8-13(12)14/h3-9,11,15,17H,10H2,1-2H3,(H,18,19)/t15-/m0/s1.
What are the key properties of (2S)-4-methyl-2-(naphthalen-1-ylamino)pentanoic acid?
(2S)-4-methyl-2-(naphthalen-1-ylamino)pentanoic acid has a molecular weight of 257.33 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-(naphthalen-1-ylamino)pentanoic acid is sourced from PubChem (CID 14746886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).