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

C16H13N3O5S — CID 54739162

IUPAC2-[(4-hydroxy-1-methyl-2-oxo-7-thiophen-2-yl-1,8-naphthyridine-3-carbonyl)amino]acetic acid
SMILESCn1c(=O)c(C(=O)NCC(=O)O)c(O)c2ccc(-c3cccs3)nc21
InChIInChI=1S/C16H13N3O5S/c1-19-14-8(4-5-9(18-14)10-3-2-6-25-10)13(22)12(16(19)24)15(23)17-7-11(20)21/h2-6,22H,7H2,1H3,(H,17,23)(H,20,21)
InChIKeyKVNCKKBRHXRCBM-UHFFFAOYSA-N
MW359.36 g/mol
LogP1.18
Rot. Bonds4

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

2-[(4-hydroxy-1-methyl-2-oxo-7-thiophen-2-yl-1,8-naphthyridine-3-carbonyl)amino]acetic acid (PubChem CID 54739162) has the molecular formula C16H13N3O5S and a molecular weight of 359.36 g/mol. Its IUPAC name is 2-[(4-hydroxy-1-methyl-2-oxo-7-thiophen-2-yl-1,8-naphthyridine-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-hydroxy-1-methyl-2-oxo-7-thiophen-2-yl-1,8-naphthyridine-3-carbonyl)amino]acetic acid
PubChem CID54739162
Molecular FormulaC16H13N3O5S
Molecular Weight359.36 g/mol
Exact Mass359.06
IUPAC Name2-[(4-hydroxy-1-methyl-2-oxo-7-thiophen-2-yl-1,8-naphthyridine-3-carbonyl)amino]acetic acid
SMILESCn1c(=O)c(C(=O)NCC(=O)O)c(O)c2ccc(-c3cccs3)nc21
InChIInChI=1S/C16H13N3O5S/c1-19-14-8(4-5-9(18-14)10-3-2-6-25-10)13(22)12(16(19)24)15(23)17-7-11(20)21/h2-6,22H,7H2,1H3,(H,17,23)(H,20,21)
InChIKeyKVNCKKBRHXRCBM-UHFFFAOYSA-N
XLogP1.18
TPSA121.52 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-1-methyl-2-oxo-7-thiophen-2-yl-1,8-naphthyridine-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(4-hydroxy-1-methyl-2-oxo-7-thiophen-2-yl-1,8-naphthyridine-3-carbonyl)amino]acetic acid (CID 54739162) is 2-[(4-hydroxy-1-methyl-2-oxo-7-thiophen-2-yl-1,8-naphthyridine-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-hydroxy-1-methyl-2-oxo-7-thiophen-2-yl-1,8-naphthyridine-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(4-hydroxy-1-methyl-2-oxo-7-thiophen-2-yl-1,8-naphthyridine-3-carbonyl)amino]acetic acid is Cn1c(=O)c(C(=O)NCC(=O)O)c(O)c2ccc(-c3cccs3)nc21.
What is the InChIKey of 2-[(4-hydroxy-1-methyl-2-oxo-7-thiophen-2-yl-1,8-naphthyridine-3-carbonyl)amino]acetic acid?
The InChIKey is KVNCKKBRHXRCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O5S/c1-19-14-8(4-5-9(18-14)10-3-2-6-25-10)13(22)12(16(19)24)15(23)17-7-11(20)21/h2-6,22H,7H2,1H3,(H,17,23)(H,20,21).
What are the key properties of 2-[(4-hydroxy-1-methyl-2-oxo-7-thiophen-2-yl-1,8-naphthyridine-3-carbonyl)amino]acetic acid?
2-[(4-hydroxy-1-methyl-2-oxo-7-thiophen-2-yl-1,8-naphthyridine-3-carbonyl)amino]acetic acid has a molecular weight of 359.36 g/mol, XLogP of 1.18, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-1-methyl-2-oxo-7-thiophen-2-yl-1,8-naphthyridine-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 54739162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).