6-(3-methoxypropylcarbamoylamino)hexanoic acid

C11H22N2O4 — CID 61196708

IUPAC6-(3-methoxypropylcarbamoylamino)hexanoic acid
SMILESCOCCCNC(=O)NCCCCCC(=O)O
InChIInChI=1S/C11H22N2O4/c1-17-9-5-8-13-11(16)12-7-4-2-3-6-10(14)15/h2-9H2,1H3,(H,14,15)(H2,12,13,16)
InChIKeyYQTGMDXVZNTEFP-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.97
Rot. Bonds10

About 6-(3-methoxypropylcarbamoylamino)hexanoic acid

6-(3-methoxypropylcarbamoylamino)hexanoic acid (PubChem CID 61196708) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is 6-(3-methoxypropylcarbamoylamino)hexanoic acid.

Molecular Properties

Compound Name6-(3-methoxypropylcarbamoylamino)hexanoic acid
PubChem CID61196708
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name6-(3-methoxypropylcarbamoylamino)hexanoic acid
SMILESCOCCCNC(=O)NCCCCCC(=O)O
InChIInChI=1S/C11H22N2O4/c1-17-9-5-8-13-11(16)12-7-4-2-3-6-10(14)15/h2-9H2,1H3,(H,14,15)(H2,12,13,16)
InChIKeyYQTGMDXVZNTEFP-UHFFFAOYSA-N
XLogP0.97
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.97
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

6-(3-methoxypropylcarbamothioylamino)hexanoic acid
CID 4174298
5-(3-methoxypropylamino)pentanoic acid
CID 103237135
7-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]heptanoic acid
CID 62850101
5-(5-methoxypentanoylamino)pentanoic acid
CID 119234359
5-(5-methoxypentylcarbamoylamino)hexanoic acid
CID 114131677
7-(butylcarbamoylamino)heptanoic acid
CID 28786256
4-(3-methoxypropylcarbamoylamino)-4-oxobutanoic acid
CID 43153371
6-(cyanomethylcarbamoylamino)hexanoic acid
CID 108864686
6-(methoxycarbonylamino)hexanoic acid
CID 22382374
4-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]butanoic acid
CID 55126918
7-(2-methylsulfanylethylcarbamoylamino)heptanoic acid
CID 63959937
4-[(3-methoxy-3-oxopropyl)carbamoylamino]butanoic acid
CID 61300129

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxypropylcarbamoylamino)hexanoic acid?
The IUPAC name of 6-(3-methoxypropylcarbamoylamino)hexanoic acid (CID 61196708) is 6-(3-methoxypropylcarbamoylamino)hexanoic acid.
What is the SMILES notation for 6-(3-methoxypropylcarbamoylamino)hexanoic acid?
The canonical SMILES for 6-(3-methoxypropylcarbamoylamino)hexanoic acid is COCCCNC(=O)NCCCCCC(=O)O.
What is the InChIKey of 6-(3-methoxypropylcarbamoylamino)hexanoic acid?
The InChIKey is YQTGMDXVZNTEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-17-9-5-8-13-11(16)12-7-4-2-3-6-10(14)15/h2-9H2,1H3,(H,14,15)(H2,12,13,16).
What are the key properties of 6-(3-methoxypropylcarbamoylamino)hexanoic acid?
6-(3-methoxypropylcarbamoylamino)hexanoic acid has a molecular weight of 246.31 g/mol, XLogP of 0.97, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxypropylcarbamoylamino)hexanoic acid is sourced from PubChem (CID 61196708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).