2-[[5-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid

C14H16N2O4 — CID 134313211

IUPAC2-[[5-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid
SMILESC/C=C\C(=C/C)c1cnc(C(=O)NCC(=O)O)c(O)c1
InChIInChI=1S/C14H16N2O4/c1-3-5-9(4-2)10-6-11(17)13(15-7-10)14(20)16-8-12(18)19/h3-7,17H,8H2,1-2H3,(H,16,20)(H,18,19)/b5-3-,9-4+
InChIKeyISDXROPUTPTORH-LWUTYWFWSA-N
MW276.29 g/mol
LogP1.58
Rot. Bonds5

About 2-[[5-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid

2-[[5-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid (PubChem CID 134313211) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 2-[[5-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[5-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid
PubChem CID134313211
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name2-[[5-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid
SMILESC/C=C\C(=C/C)c1cnc(C(=O)NCC(=O)O)c(O)c1
InChIInChI=1S/C14H16N2O4/c1-3-5-9(4-2)10-6-11(17)13(15-7-10)14(20)16-8-12(18)19/h3-7,17H,8H2,1-2H3,(H,16,20)(H,18,19)/b5-3-,9-4+
InChIKeyISDXROPUTPTORH-LWUTYWFWSA-N
XLogP1.58
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[5-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid (CID 134313211) is 2-[[5-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[5-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[5-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid is C/C=C\C(=C/C)c1cnc(C(=O)NCC(=O)O)c(O)c1.
What is the InChIKey of 2-[[5-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid?
The InChIKey is ISDXROPUTPTORH-LWUTYWFWSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-3-5-9(4-2)10-6-11(17)13(15-7-10)14(20)16-8-12(18)19/h3-7,17H,8H2,1-2H3,(H,16,20)(H,18,19)/b5-3-,9-4+.
What are the key properties of 2-[[5-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid?
2-[[5-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid has a molecular weight of 276.29 g/mol, XLogP of 1.58, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 134313211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).