methyl (2S)-2-amino-3-[4-(2,7-naphthyridin-1-yloxy)phenyl]propanoate

C18H17N3O3 — CID 69331356

IUPACmethyl (2S)-2-amino-3-[4-(2,7-naphthyridin-1-yloxy)phenyl]propanoate
SMILESCOC(=O)[C@@H](N)Cc1ccc(Oc2nccc3ccncc23)cc1
InChIInChI=1S/C18H17N3O3/c1-23-18(22)16(19)10-12-2-4-14(5-3-12)24-17-15-11-20-8-6-13(15)7-9-21-17/h2-9,11,16H,10,19H2,1H3/t16-/m0/s1
InChIKeyZRXKUTRQFIZDAQ-INIZCTEOSA-N
MW323.35 g/mol
LogP2.46
Rot. Bonds5

About methyl (2S)-2-amino-3-[4-(2,7-naphthyridin-1-yloxy)phenyl]propanoate

methyl (2S)-2-amino-3-[4-(2,7-naphthyridin-1-yloxy)phenyl]propanoate (PubChem CID 69331356) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is methyl (2S)-2-amino-3-[4-(2,7-naphthyridin-1-yloxy)phenyl]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-amino-3-[4-(2,7-naphthyridin-1-yloxy)phenyl]propanoate
PubChem CID69331356
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Namemethyl (2S)-2-amino-3-[4-(2,7-naphthyridin-1-yloxy)phenyl]propanoate
SMILESCOC(=O)[C@@H](N)Cc1ccc(Oc2nccc3ccncc23)cc1
InChIInChI=1S/C18H17N3O3/c1-23-18(22)16(19)10-12-2-4-14(5-3-12)24-17-15-11-20-8-6-13(15)7-9-21-17/h2-9,11,16H,10,19H2,1H3/t16-/m0/s1
InChIKeyZRXKUTRQFIZDAQ-INIZCTEOSA-N
XLogP2.46
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-3-[4-(2,7-naphthyridin-1-yloxy)phenyl]propanoate?
The IUPAC name of methyl (2S)-2-amino-3-[4-(2,7-naphthyridin-1-yloxy)phenyl]propanoate (CID 69331356) is methyl (2S)-2-amino-3-[4-(2,7-naphthyridin-1-yloxy)phenyl]propanoate.
What is the SMILES notation for methyl (2S)-2-amino-3-[4-(2,7-naphthyridin-1-yloxy)phenyl]propanoate?
The canonical SMILES for methyl (2S)-2-amino-3-[4-(2,7-naphthyridin-1-yloxy)phenyl]propanoate is COC(=O)[C@@H](N)Cc1ccc(Oc2nccc3ccncc23)cc1.
What is the InChIKey of methyl (2S)-2-amino-3-[4-(2,7-naphthyridin-1-yloxy)phenyl]propanoate?
The InChIKey is ZRXKUTRQFIZDAQ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-23-18(22)16(19)10-12-2-4-14(5-3-12)24-17-15-11-20-8-6-13(15)7-9-21-17/h2-9,11,16H,10,19H2,1H3/t16-/m0/s1.
What are the key properties of methyl (2S)-2-amino-3-[4-(2,7-naphthyridin-1-yloxy)phenyl]propanoate?
methyl (2S)-2-amino-3-[4-(2,7-naphthyridin-1-yloxy)phenyl]propanoate has a molecular weight of 323.35 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-amino-3-[4-(2,7-naphthyridin-1-yloxy)phenyl]propanoate is sourced from PubChem (CID 69331356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).