2-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]acetic acid

C14H15N3O4 — CID 39847123

IUPAC2-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]acetic acid
SMILESCCn1cc(C(=O)NCC(=O)O)c(=O)c2ccc(C)nc21
InChIInChI=1S/C14H15N3O4/c1-3-17-7-10(14(21)15-6-11(18)19)12(20)9-5-4-8(2)16-13(9)17/h4-5,7H,3,6H2,1-2H3,(H,15,21)(H,18,19)
InChIKeyVBJCGBJQRXHZHW-UHFFFAOYSA-N
MW289.29 g/mol
LogP0.54
Rot. Bonds4

About 2-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]acetic acid

2-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]acetic acid (PubChem CID 39847123) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 2-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]acetic acid
PubChem CID39847123
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name2-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]acetic acid
SMILESCCn1cc(C(=O)NCC(=O)O)c(=O)c2ccc(C)nc21
InChIInChI=1S/C14H15N3O4/c1-3-17-7-10(14(21)15-6-11(18)19)12(20)9-5-4-8(2)16-13(9)17/h4-5,7H,3,6H2,1-2H3,(H,15,21)(H,18,19)
InChIKeyVBJCGBJQRXHZHW-UHFFFAOYSA-N
XLogP0.54
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]acetic acid (CID 39847123) is 2-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]acetic acid is CCn1cc(C(=O)NCC(=O)O)c(=O)c2ccc(C)nc21.
What is the InChIKey of 2-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]acetic acid?
The InChIKey is VBJCGBJQRXHZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-3-17-7-10(14(21)15-6-11(18)19)12(20)9-5-4-8(2)16-13(9)17/h4-5,7H,3,6H2,1-2H3,(H,15,21)(H,18,19).
What are the key properties of 2-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]acetic acid?
2-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]acetic acid has a molecular weight of 289.29 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 39847123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).