(E)-2-[(6-propan-2-yloxypyridine-2-carbonyl)amino]hex-4-enoic acid

C15H20N2O4 — CID 120693484

IUPAC(E)-2-[(6-propan-2-yloxypyridine-2-carbonyl)amino]hex-4-enoic acid
SMILESC/C=C/CC(NC(=O)c1cccc(OC(C)C)n1)C(=O)O
InChIInChI=1S/C15H20N2O4/c1-4-5-7-12(15(19)20)17-14(18)11-8-6-9-13(16-11)21-10(2)3/h4-6,8-10,12H,7H2,1-3H3,(H,17,18)(H,19,20)/b5-4+
InChIKeyYBTDPWQUBDINSA-SNAWJCMRSA-N
MW292.34 g/mol
LogP2.02
Rot. Bonds7

About (E)-2-[(6-propan-2-yloxypyridine-2-carbonyl)amino]hex-4-enoic acid

(E)-2-[(6-propan-2-yloxypyridine-2-carbonyl)amino]hex-4-enoic acid (PubChem CID 120693484) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is (E)-2-[(6-propan-2-yloxypyridine-2-carbonyl)amino]hex-4-enoic acid.

Molecular Properties

Compound Name(E)-2-[(6-propan-2-yloxypyridine-2-carbonyl)amino]hex-4-enoic acid
PubChem CID120693484
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name(E)-2-[(6-propan-2-yloxypyridine-2-carbonyl)amino]hex-4-enoic acid
SMILESC/C=C/CC(NC(=O)c1cccc(OC(C)C)n1)C(=O)O
InChIInChI=1S/C15H20N2O4/c1-4-5-7-12(15(19)20)17-14(18)11-8-6-9-13(16-11)21-10(2)3/h4-6,8-10,12H,7H2,1-3H3,(H,17,18)(H,19,20)/b5-4+
InChIKeyYBTDPWQUBDINSA-SNAWJCMRSA-N
XLogP2.02
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-2-[(6-propan-2-yloxypyridine-2-carbonyl)amino]hex-4-enoic acid with MolForge

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Related Compounds

3-methyl-2-[(6-propan-2-yloxypyridine-2-carbonyl)amino]pentanoic acid
CID 120520770
3-[(6-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid
CID 120515163
(E)-2-[(2,6-dimethoxybenzoyl)amino]hex-4-enoic acid
CID 120692945
(E)-2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]hex-4-enoic acid
CID 120694040
N-(2-hydroxypropyl)-6-propan-2-yloxypyridine-2-carboxamide
CID 109399314
(E)-2-[(4-methoxy-2-propan-2-yloxybenzoyl)amino]hex-4-enoic acid
CID 120694213
(E)-2-(pyrazine-2-carbonylamino)hex-4-enoic acid
CID 120692944
(E)-2-(pyridazine-4-carbonylamino)hex-4-enoic acid
CID 120694056
(E)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]hex-4-enoic acid
CID 120692636
(E)-2-[(2-tert-butyl-1,3-thiazole-4-carbonyl)amino]hex-4-enoic acid
CID 120693059
3-[ethyl-(6-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid
CID 120516584
2-[methyl-(6-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid
CID 120520363

Frequently Asked Questions

What is the IUPAC name of (E)-2-[(6-propan-2-yloxypyridine-2-carbonyl)amino]hex-4-enoic acid?
The IUPAC name of (E)-2-[(6-propan-2-yloxypyridine-2-carbonyl)amino]hex-4-enoic acid (CID 120693484) is (E)-2-[(6-propan-2-yloxypyridine-2-carbonyl)amino]hex-4-enoic acid.
What is the SMILES notation for (E)-2-[(6-propan-2-yloxypyridine-2-carbonyl)amino]hex-4-enoic acid?
The canonical SMILES for (E)-2-[(6-propan-2-yloxypyridine-2-carbonyl)amino]hex-4-enoic acid is C/C=C/CC(NC(=O)c1cccc(OC(C)C)n1)C(=O)O.
What is the InChIKey of (E)-2-[(6-propan-2-yloxypyridine-2-carbonyl)amino]hex-4-enoic acid?
The InChIKey is YBTDPWQUBDINSA-SNAWJCMRSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-4-5-7-12(15(19)20)17-14(18)11-8-6-9-13(16-11)21-10(2)3/h4-6,8-10,12H,7H2,1-3H3,(H,17,18)(H,19,20)/b5-4+.
What are the key properties of (E)-2-[(6-propan-2-yloxypyridine-2-carbonyl)amino]hex-4-enoic acid?
(E)-2-[(6-propan-2-yloxypyridine-2-carbonyl)amino]hex-4-enoic acid has a molecular weight of 292.34 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[(6-propan-2-yloxypyridine-2-carbonyl)amino]hex-4-enoic acid is sourced from PubChem (CID 120693484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).