2-(6-methoxy-2-oxospiro[1H-pyrido[3,2-d]pyrimidine-4,1'-cyclopropane]-3-yl)acetic acid

C12H13N3O4 — CID 171497257

IUPAC2-(6-methoxy-2-oxospiro[1H-pyrido[3,2-d]pyrimidine-4,1'-cyclopropane]-3-yl)acetic acid
SMILESCOc1ccc2c(n1)C1(CC1)N(CC(=O)O)C(=O)N2
InChIInChI=1S/C12H13N3O4/c1-19-8-3-2-7-10(14-8)12(4-5-12)15(6-9(16)17)11(18)13-7/h2-3H,4-6H2,1H3,(H,13,18)(H,16,17)
InChIKeyMSNWABXXHATVFL-UHFFFAOYSA-N
MW263.25 g/mol
LogP1.01
Rot. Bonds3

About 2-(6-methoxy-2-oxospiro[1H-pyrido[3,2-d]pyrimidine-4,1'-cyclopropane]-3-yl)acetic acid

2-(6-methoxy-2-oxospiro[1H-pyrido[3,2-d]pyrimidine-4,1'-cyclopropane]-3-yl)acetic acid (PubChem CID 171497257) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is 2-(6-methoxy-2-oxospiro[1H-pyrido[3,2-d]pyrimidine-4,1'-cyclopropane]-3-yl)acetic acid.

Molecular Properties

Compound Name2-(6-methoxy-2-oxospiro[1H-pyrido[3,2-d]pyrimidine-4,1'-cyclopropane]-3-yl)acetic acid
PubChem CID171497257
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name2-(6-methoxy-2-oxospiro[1H-pyrido[3,2-d]pyrimidine-4,1'-cyclopropane]-3-yl)acetic acid
SMILESCOc1ccc2c(n1)C1(CC1)N(CC(=O)O)C(=O)N2
InChIInChI=1S/C12H13N3O4/c1-19-8-3-2-7-10(14-8)12(4-5-12)15(6-9(16)17)11(18)13-7/h2-3H,4-6H2,1H3,(H,13,18)(H,16,17)
InChIKeyMSNWABXXHATVFL-UHFFFAOYSA-N
XLogP1.01
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-2-oxospiro[1H-pyrido[3,2-d]pyrimidine-4,1'-cyclopropane]-3-yl)acetic acid?
The IUPAC name of 2-(6-methoxy-2-oxospiro[1H-pyrido[3,2-d]pyrimidine-4,1'-cyclopropane]-3-yl)acetic acid (CID 171497257) is 2-(6-methoxy-2-oxospiro[1H-pyrido[3,2-d]pyrimidine-4,1'-cyclopropane]-3-yl)acetic acid.
What is the SMILES notation for 2-(6-methoxy-2-oxospiro[1H-pyrido[3,2-d]pyrimidine-4,1'-cyclopropane]-3-yl)acetic acid?
The canonical SMILES for 2-(6-methoxy-2-oxospiro[1H-pyrido[3,2-d]pyrimidine-4,1'-cyclopropane]-3-yl)acetic acid is COc1ccc2c(n1)C1(CC1)N(CC(=O)O)C(=O)N2.
What is the InChIKey of 2-(6-methoxy-2-oxospiro[1H-pyrido[3,2-d]pyrimidine-4,1'-cyclopropane]-3-yl)acetic acid?
The InChIKey is MSNWABXXHATVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c1-19-8-3-2-7-10(14-8)12(4-5-12)15(6-9(16)17)11(18)13-7/h2-3H,4-6H2,1H3,(H,13,18)(H,16,17).
What are the key properties of 2-(6-methoxy-2-oxospiro[1H-pyrido[3,2-d]pyrimidine-4,1'-cyclopropane]-3-yl)acetic acid?
2-(6-methoxy-2-oxospiro[1H-pyrido[3,2-d]pyrimidine-4,1'-cyclopropane]-3-yl)acetic acid has a molecular weight of 263.25 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-2-oxospiro[1H-pyrido[3,2-d]pyrimidine-4,1'-cyclopropane]-3-yl)acetic acid is sourced from PubChem (CID 171497257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).