5-(5-methoxypentylcarbamoylamino)hexanoic acid

C13H26N2O4 — CID 114131677

IUPAC5-(5-methoxypentylcarbamoylamino)hexanoic acid
SMILESCOCCCCCNC(=O)NC(C)CCCC(=O)O
InChIInChI=1S/C13H26N2O4/c1-11(7-6-8-12(16)17)15-13(18)14-9-4-3-5-10-19-2/h11H,3-10H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKeyYQTKEGNFSKGDGA-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.75
Rot. Bonds11

About 5-(5-methoxypentylcarbamoylamino)hexanoic acid

5-(5-methoxypentylcarbamoylamino)hexanoic acid (PubChem CID 114131677) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is 5-(5-methoxypentylcarbamoylamino)hexanoic acid.

Molecular Properties

Compound Name5-(5-methoxypentylcarbamoylamino)hexanoic acid
PubChem CID114131677
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC Name5-(5-methoxypentylcarbamoylamino)hexanoic acid
SMILESCOCCCCCNC(=O)NC(C)CCCC(=O)O
InChIInChI=1S/C13H26N2O4/c1-11(7-6-8-12(16)17)15-13(18)14-9-4-3-5-10-19-2/h11H,3-10H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKeyYQTKEGNFSKGDGA-UHFFFAOYSA-N
XLogP1.75
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methoxybutan-2-ylcarbamoylamino)propanoic acid
CID 64605721
6-(3-methoxypropylcarbamoylamino)hexanoic acid
CID 61196708
5-(2,3-dimethoxypropylcarbamoylamino)hexanoic acid
CID 114101270
7-(4-methylsulfanylbutan-2-ylcarbamoylamino)heptanoic acid
CID 113477968
4-(pentan-2-ylcarbamoylamino)butanoic acid
CID 61181859
(2R)-2-(4-methoxybutylcarbamoylamino)-3-methylbutanoic acid
CID 79009826
5-(3-sulfamoylpropylcarbamoylamino)hexanoic acid
CID 82848425
2-(5-methoxypentylcarbamoylamino)pentanoic acid
CID 113363777
5-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]hexanoic acid
CID 82846283
4-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]butanoic acid
CID 65048026
6-[1-(dimethylamino)propan-2-ylcarbamoylamino]hexanoic acid
CID 82937405
5-(5-methoxypentanoylamino)pentanoic acid
CID 119234359

Frequently Asked Questions

What is the IUPAC name of 5-(5-methoxypentylcarbamoylamino)hexanoic acid?
The IUPAC name of 5-(5-methoxypentylcarbamoylamino)hexanoic acid (CID 114131677) is 5-(5-methoxypentylcarbamoylamino)hexanoic acid.
What is the SMILES notation for 5-(5-methoxypentylcarbamoylamino)hexanoic acid?
The canonical SMILES for 5-(5-methoxypentylcarbamoylamino)hexanoic acid is COCCCCCNC(=O)NC(C)CCCC(=O)O.
What is the InChIKey of 5-(5-methoxypentylcarbamoylamino)hexanoic acid?
The InChIKey is YQTKEGNFSKGDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4/c1-11(7-6-8-12(16)17)15-13(18)14-9-4-3-5-10-19-2/h11H,3-10H2,1-2H3,(H,16,17)(H2,14,15,18).
What are the key properties of 5-(5-methoxypentylcarbamoylamino)hexanoic acid?
5-(5-methoxypentylcarbamoylamino)hexanoic acid has a molecular weight of 274.36 g/mol, XLogP of 1.75, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methoxypentylcarbamoylamino)hexanoic acid is sourced from PubChem (CID 114131677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).