1-(1-methoxycarbonylpyrrolidin-3-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid

C15H15N3O5 — CID 18331271

IUPAC1-(1-methoxycarbonylpyrrolidin-3-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESCOC(=O)N1CCC(n2cc(C(=O)O)c(=O)c3cccnc32)C1
InChIInChI=1S/C15H15N3O5/c1-23-15(22)17-6-4-9(7-17)18-8-11(14(20)21)12(19)10-3-2-5-16-13(10)18/h2-3,5,8-9H,4,6-7H2,1H3,(H,20,21)
InChIKeyKFWHGFSYPWPCKH-UHFFFAOYSA-N
MW317.30 g/mol
LogP1.11
Rot. Bonds2

About 1-(1-methoxycarbonylpyrrolidin-3-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid

1-(1-methoxycarbonylpyrrolidin-3-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 18331271) has the molecular formula C15H15N3O5 and a molecular weight of 317.30 g/mol. Its IUPAC name is 1-(1-methoxycarbonylpyrrolidin-3-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-methoxycarbonylpyrrolidin-3-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
PubChem CID18331271
Molecular FormulaC15H15N3O5
Molecular Weight317.30 g/mol
Exact Mass317.10
IUPAC Name1-(1-methoxycarbonylpyrrolidin-3-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESCOC(=O)N1CCC(n2cc(C(=O)O)c(=O)c3cccnc32)C1
InChIInChI=1S/C15H15N3O5/c1-23-15(22)17-6-4-9(7-17)18-8-11(14(20)21)12(19)10-3-2-5-16-13(10)18/h2-3,5,8-9H,4,6-7H2,1H3,(H,20,21)
InChIKeyKFWHGFSYPWPCKH-UHFFFAOYSA-N
XLogP1.11
TPSA101.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycarbonylpyrrolidin-3-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 1-(1-methoxycarbonylpyrrolidin-3-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid (CID 18331271) is 1-(1-methoxycarbonylpyrrolidin-3-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 1-(1-methoxycarbonylpyrrolidin-3-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 1-(1-methoxycarbonylpyrrolidin-3-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid is COC(=O)N1CCC(n2cc(C(=O)O)c(=O)c3cccnc32)C1.
What is the InChIKey of 1-(1-methoxycarbonylpyrrolidin-3-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is KFWHGFSYPWPCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O5/c1-23-15(22)17-6-4-9(7-17)18-8-11(14(20)21)12(19)10-3-2-5-16-13(10)18/h2-3,5,8-9H,4,6-7H2,1H3,(H,20,21).
What are the key properties of 1-(1-methoxycarbonylpyrrolidin-3-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?
1-(1-methoxycarbonylpyrrolidin-3-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 317.30 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycarbonylpyrrolidin-3-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 18331271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).