[(1R)-2-hydroxy-1-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]carbamic acid

C12H13N3O4 — CID 141388458

IUPAC[(1R)-2-hydroxy-1-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]carbamic acid
SMILESCOc1ccc2nccc([C@H](CO)NC(=O)O)c2n1
InChIInChI=1S/C12H13N3O4/c1-19-10-3-2-8-11(15-10)7(4-5-13-8)9(6-16)14-12(17)18/h2-5,9,14,16H,6H2,1H3,(H,17,18)/t9-/m0/s1
InChIKeySAIGIQFPHNVLPP-VIFPVBQESA-N
MW263.25 g/mol
LogP0.94
Rot. Bonds4

About [(1R)-2-hydroxy-1-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]carbamic acid

[(1R)-2-hydroxy-1-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]carbamic acid (PubChem CID 141388458) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is [(1R)-2-hydroxy-1-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]carbamic acid.

Molecular Properties

Compound Name[(1R)-2-hydroxy-1-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]carbamic acid
PubChem CID141388458
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name[(1R)-2-hydroxy-1-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]carbamic acid
SMILESCOc1ccc2nccc([C@H](CO)NC(=O)O)c2n1
InChIInChI=1S/C12H13N3O4/c1-19-10-3-2-8-11(15-10)7(4-5-13-8)9(6-16)14-12(17)18/h2-5,9,14,16H,6H2,1H3,(H,17,18)/t9-/m0/s1
InChIKeySAIGIQFPHNVLPP-VIFPVBQESA-N
XLogP0.94
TPSA104.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(1R)-2-hydroxy-1-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]carbamic acid?
The IUPAC name of [(1R)-2-hydroxy-1-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]carbamic acid (CID 141388458) is [(1R)-2-hydroxy-1-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]carbamic acid.
What is the SMILES notation for [(1R)-2-hydroxy-1-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]carbamic acid?
The canonical SMILES for [(1R)-2-hydroxy-1-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]carbamic acid is COc1ccc2nccc([C@H](CO)NC(=O)O)c2n1.
What is the InChIKey of [(1R)-2-hydroxy-1-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]carbamic acid?
The InChIKey is SAIGIQFPHNVLPP-VIFPVBQESA-N. The full InChI is InChI=1S/C12H13N3O4/c1-19-10-3-2-8-11(15-10)7(4-5-13-8)9(6-16)14-12(17)18/h2-5,9,14,16H,6H2,1H3,(H,17,18)/t9-/m0/s1.
What are the key properties of [(1R)-2-hydroxy-1-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]carbamic acid?
[(1R)-2-hydroxy-1-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]carbamic acid has a molecular weight of 263.25 g/mol, XLogP of 0.94, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-hydroxy-1-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]carbamic acid is sourced from PubChem (CID 141388458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).