(2S)-2-amino-3-[4-[(3-methyl-2,7-naphthyridin-1-yl)oxy]phenyl]propanoic acid

C18H17N3O3 — CID 20575783

IUPAC(2S)-2-amino-3-[4-[(3-methyl-2,7-naphthyridin-1-yl)oxy]phenyl]propanoic acid
SMILESCc1cc2ccncc2c(Oc2ccc(C[C@H](N)C(=O)O)cc2)n1
InChIInChI=1S/C18H17N3O3/c1-11-8-13-6-7-20-10-15(13)17(21-11)24-14-4-2-12(3-5-14)9-16(19)18(22)23/h2-8,10,16H,9,19H2,1H3,(H,22,23)/t16-/m0/s1
InChIKeySTQFCMFVAUWEQZ-INIZCTEOSA-N
MW323.35 g/mol
LogP2.68
Rot. Bonds5

About (2S)-2-amino-3-[4-[(3-methyl-2,7-naphthyridin-1-yl)oxy]phenyl]propanoic acid

(2S)-2-amino-3-[4-[(3-methyl-2,7-naphthyridin-1-yl)oxy]phenyl]propanoic acid (PubChem CID 20575783) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is (2S)-2-amino-3-[4-[(3-methyl-2,7-naphthyridin-1-yl)oxy]phenyl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[4-[(3-methyl-2,7-naphthyridin-1-yl)oxy]phenyl]propanoic acid
PubChem CID20575783
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name(2S)-2-amino-3-[4-[(3-methyl-2,7-naphthyridin-1-yl)oxy]phenyl]propanoic acid
SMILESCc1cc2ccncc2c(Oc2ccc(C[C@H](N)C(=O)O)cc2)n1
InChIInChI=1S/C18H17N3O3/c1-11-8-13-6-7-20-10-15(13)17(21-11)24-14-4-2-12(3-5-14)9-16(19)18(22)23/h2-8,10,16H,9,19H2,1H3,(H,22,23)/t16-/m0/s1
InChIKeySTQFCMFVAUWEQZ-INIZCTEOSA-N
XLogP2.68
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[4-[(3-methyl-2,7-naphthyridin-1-yl)oxy]phenyl]propanoic acid?
The IUPAC name of (2S)-2-amino-3-[4-[(3-methyl-2,7-naphthyridin-1-yl)oxy]phenyl]propanoic acid (CID 20575783) is (2S)-2-amino-3-[4-[(3-methyl-2,7-naphthyridin-1-yl)oxy]phenyl]propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[4-[(3-methyl-2,7-naphthyridin-1-yl)oxy]phenyl]propanoic acid?
The canonical SMILES for (2S)-2-amino-3-[4-[(3-methyl-2,7-naphthyridin-1-yl)oxy]phenyl]propanoic acid is Cc1cc2ccncc2c(Oc2ccc(C[C@H](N)C(=O)O)cc2)n1.
What is the InChIKey of (2S)-2-amino-3-[4-[(3-methyl-2,7-naphthyridin-1-yl)oxy]phenyl]propanoic acid?
The InChIKey is STQFCMFVAUWEQZ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-11-8-13-6-7-20-10-15(13)17(21-11)24-14-4-2-12(3-5-14)9-16(19)18(22)23/h2-8,10,16H,9,19H2,1H3,(H,22,23)/t16-/m0/s1.
What are the key properties of (2S)-2-amino-3-[4-[(3-methyl-2,7-naphthyridin-1-yl)oxy]phenyl]propanoic acid?
(2S)-2-amino-3-[4-[(3-methyl-2,7-naphthyridin-1-yl)oxy]phenyl]propanoic acid has a molecular weight of 323.35 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[4-[(3-methyl-2,7-naphthyridin-1-yl)oxy]phenyl]propanoic acid is sourced from PubChem (CID 20575783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).