1-[[2-[[(2Z)-2-hydroxypenta-2,4-dienoyl]amino]acetyl]amino]cyclohexane-1-carboxylic acid

C14H20N2O5 — CID 143504604

IUPAC1-[[2-[[(2Z)-2-hydroxypenta-2,4-dienoyl]amino]acetyl]amino]cyclohexane-1-carboxylic acid
SMILESC=C/C=C(\O)C(=O)NCC(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C14H20N2O5/c1-2-6-10(17)12(19)15-9-11(18)16-14(13(20)21)7-4-3-5-8-14/h2,6,17H,1,3-5,7-9H2,(H,15,19)(H,16,18)(H,20,21)/b10-6-
InChIKeyXEVJCCRAQULGBT-POHAHGRESA-N
MW296.32 g/mol
LogP0.63
Rot. Bonds6

About 1-[[2-[[(2Z)-2-hydroxypenta-2,4-dienoyl]amino]acetyl]amino]cyclohexane-1-carboxylic acid

1-[[2-[[(2Z)-2-hydroxypenta-2,4-dienoyl]amino]acetyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 143504604) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 1-[[2-[[(2Z)-2-hydroxypenta-2,4-dienoyl]amino]acetyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-[[(2Z)-2-hydroxypenta-2,4-dienoyl]amino]acetyl]amino]cyclohexane-1-carboxylic acid
PubChem CID143504604
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name1-[[2-[[(2Z)-2-hydroxypenta-2,4-dienoyl]amino]acetyl]amino]cyclohexane-1-carboxylic acid
SMILESC=C/C=C(\O)C(=O)NCC(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C14H20N2O5/c1-2-6-10(17)12(19)15-9-11(18)16-14(13(20)21)7-4-3-5-8-14/h2,6,17H,1,3-5,7-9H2,(H,15,19)(H,16,18)(H,20,21)/b10-6-
InChIKeyXEVJCCRAQULGBT-POHAHGRESA-N
XLogP0.63
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 50.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-[[(2Z)-2-hydroxypenta-2,4-dienoyl]amino]acetyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[2-[[(2Z)-2-hydroxypenta-2,4-dienoyl]amino]acetyl]amino]cyclohexane-1-carboxylic acid (CID 143504604) is 1-[[2-[[(2Z)-2-hydroxypenta-2,4-dienoyl]amino]acetyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-[[(2Z)-2-hydroxypenta-2,4-dienoyl]amino]acetyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[2-[[(2Z)-2-hydroxypenta-2,4-dienoyl]amino]acetyl]amino]cyclohexane-1-carboxylic acid is C=C/C=C(\O)C(=O)NCC(=O)NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[[2-[[(2Z)-2-hydroxypenta-2,4-dienoyl]amino]acetyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is XEVJCCRAQULGBT-POHAHGRESA-N. The full InChI is InChI=1S/C14H20N2O5/c1-2-6-10(17)12(19)15-9-11(18)16-14(13(20)21)7-4-3-5-8-14/h2,6,17H,1,3-5,7-9H2,(H,15,19)(H,16,18)(H,20,21)/b10-6-.
What are the key properties of 1-[[2-[[(2Z)-2-hydroxypenta-2,4-dienoyl]amino]acetyl]amino]cyclohexane-1-carboxylic acid?
1-[[2-[[(2Z)-2-hydroxypenta-2,4-dienoyl]amino]acetyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 296.32 g/mol, XLogP of 0.63, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[[(2Z)-2-hydroxypenta-2,4-dienoyl]amino]acetyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 143504604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).