azane;(2S)-2-(naphthalen-1-ylamino)propanoic acid

C13H16N2O2 — CID 66694712

IUPACazane;(2S)-2-(naphthalen-1-ylamino)propanoic acid
SMILESC[C@H](Nc1cccc2ccccc12)C(=O)O.N
InChIInChI=1S/C13H13NO2.H3N/c1-9(13(15)16)14-12-8-4-6-10-5-2-3-7-11(10)12;/h2-9,14H,1H3,(H,15,16);1H3/t9-;/m0./s1
InChIKeyHHGQUXRHZMKDGM-FVGYRXGTSA-N
MW232.28 g/mol
LogP2.89
Rot. Bonds3

About azane;(2S)-2-(naphthalen-1-ylamino)propanoic acid

azane;(2S)-2-(naphthalen-1-ylamino)propanoic acid (PubChem CID 66694712) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is azane;(2S)-2-(naphthalen-1-ylamino)propanoic acid.

Molecular Properties

Compound Nameazane;(2S)-2-(naphthalen-1-ylamino)propanoic acid
PubChem CID66694712
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Nameazane;(2S)-2-(naphthalen-1-ylamino)propanoic acid
SMILESC[C@H](Nc1cccc2ccccc12)C(=O)O.N
InChIInChI=1S/C13H13NO2.H3N/c1-9(13(15)16)14-12-8-4-6-10-5-2-3-7-11(10)12;/h2-9,14H,1H3,(H,15,16);1H3/t9-;/m0./s1
InChIKeyHHGQUXRHZMKDGM-FVGYRXGTSA-N
XLogP2.89
TPSA84.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of azane;(2S)-2-(naphthalen-1-ylamino)propanoic acid?
The IUPAC name of azane;(2S)-2-(naphthalen-1-ylamino)propanoic acid (CID 66694712) is azane;(2S)-2-(naphthalen-1-ylamino)propanoic acid.
What is the SMILES notation for azane;(2S)-2-(naphthalen-1-ylamino)propanoic acid?
The canonical SMILES for azane;(2S)-2-(naphthalen-1-ylamino)propanoic acid is C[C@H](Nc1cccc2ccccc12)C(=O)O.N.
What is the InChIKey of azane;(2S)-2-(naphthalen-1-ylamino)propanoic acid?
The InChIKey is HHGQUXRHZMKDGM-FVGYRXGTSA-N. The full InChI is InChI=1S/C13H13NO2.H3N/c1-9(13(15)16)14-12-8-4-6-10-5-2-3-7-11(10)12;/h2-9,14H,1H3,(H,15,16);1H3/t9-;/m0./s1.
What are the key properties of azane;(2S)-2-(naphthalen-1-ylamino)propanoic acid?
azane;(2S)-2-(naphthalen-1-ylamino)propanoic acid has a molecular weight of 232.28 g/mol, XLogP of 2.89, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;(2S)-2-(naphthalen-1-ylamino)propanoic acid is sourced from PubChem (CID 66694712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).