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

C15H22N2O5 — CID 143504884

IUPAC1-[[2-[[(2Z)-2-methoxypenta-2,4-dienoyl]amino]acetyl]amino]cyclohexane-1-carboxylic acid
SMILESC=C/C=C(\OC)C(=O)NCC(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C15H22N2O5/c1-3-7-11(22-2)13(19)16-10-12(18)17-15(14(20)21)8-5-4-6-9-15/h3,7H,1,4-6,8-10H2,2H3,(H,16,19)(H,17,18)(H,20,21)/b11-7-
InChIKeyFWAZAAQYWHAALM-XFFZJAGNSA-N
MW310.35 g/mol
LogP0.72
Rot. Bonds7

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

1-[[2-[[(2Z)-2-methoxypenta-2,4-dienoyl]amino]acetyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 143504884) has the molecular formula C15H22N2O5 and a molecular weight of 310.35 g/mol. Its IUPAC name is 1-[[2-[[(2Z)-2-methoxypenta-2,4-dienoyl]amino]acetyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-[[(2Z)-2-methoxypenta-2,4-dienoyl]amino]acetyl]amino]cyclohexane-1-carboxylic acid
PubChem CID143504884
Molecular FormulaC15H22N2O5
Molecular Weight310.35 g/mol
Exact Mass310.15
IUPAC Name1-[[2-[[(2Z)-2-methoxypenta-2,4-dienoyl]amino]acetyl]amino]cyclohexane-1-carboxylic acid
SMILESC=C/C=C(\OC)C(=O)NCC(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C15H22N2O5/c1-3-7-11(22-2)13(19)16-10-12(18)17-15(14(20)21)8-5-4-6-9-15/h3,7H,1,4-6,8-10H2,2H3,(H,16,19)(H,17,18)(H,20,21)/b11-7-
InChIKeyFWAZAAQYWHAALM-XFFZJAGNSA-N
XLogP0.72
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 50.72
H-Bond Donors ≤ 53
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'}

Analyze 1-[[2-[[(2Z)-2-methoxypenta-2,4-dienoyl]amino]acetyl]amino]cyclohexane-1-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

methyl 1-[[2-[[(2Z)-2-methoxypenta-2,4-dienoyl]amino]acetyl]amino]cyclohexane-1-carboxylate
CID 143504535
1-[[2-(2H-pyran-6-carbonylamino)acetyl]amino]cyclohexane-1-carboxylic acid
CID 143504580
1-[[2-[[(2Z)-2-hydroxypenta-2,4-dienoyl]amino]acetyl]amino]cyclohexane-1-carboxylic acid
CID 143504604
methyl 7-[[2-[[(2Z)-2-hydroxypenta-2,4-dienoyl]amino]acetyl]amino]heptanoate;molecular hydrogen
CID 143504886
methyl 7-[[2-[[(2Z)-2-hydroxypenta-2,4-dienoyl]amino]acetyl]amino]heptanoate
CID 143504887

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[[(2Z)-2-methoxypenta-2,4-dienoyl]amino]acetyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[2-[[(2Z)-2-methoxypenta-2,4-dienoyl]amino]acetyl]amino]cyclohexane-1-carboxylic acid (CID 143504884) is 1-[[2-[[(2Z)-2-methoxypenta-2,4-dienoyl]amino]acetyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-[[(2Z)-2-methoxypenta-2,4-dienoyl]amino]acetyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[2-[[(2Z)-2-methoxypenta-2,4-dienoyl]amino]acetyl]amino]cyclohexane-1-carboxylic acid is C=C/C=C(\OC)C(=O)NCC(=O)NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[[2-[[(2Z)-2-methoxypenta-2,4-dienoyl]amino]acetyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is FWAZAAQYWHAALM-XFFZJAGNSA-N. The full InChI is InChI=1S/C15H22N2O5/c1-3-7-11(22-2)13(19)16-10-12(18)17-15(14(20)21)8-5-4-6-9-15/h3,7H,1,4-6,8-10H2,2H3,(H,16,19)(H,17,18)(H,20,21)/b11-7-.
What are the key properties of 1-[[2-[[(2Z)-2-methoxypenta-2,4-dienoyl]amino]acetyl]amino]cyclohexane-1-carboxylic acid?
1-[[2-[[(2Z)-2-methoxypenta-2,4-dienoyl]amino]acetyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 310.35 g/mol, XLogP of 0.72, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[[(2Z)-2-methoxypenta-2,4-dienoyl]amino]acetyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 143504884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).