6-[[2-methoxyethyl(methyl)carbamoyl]amino]-6-oxohexanoic acid

C11H20N2O5 — CID 61428231

IUPAC6-[[2-methoxyethyl(methyl)carbamoyl]amino]-6-oxohexanoic acid
SMILESCOCCN(C)C(=O)NC(=O)CCCCC(=O)O
InChIInChI=1S/C11H20N2O5/c1-13(7-8-18-2)11(17)12-9(14)5-3-4-6-10(15)16/h3-8H2,1-2H3,(H,15,16)(H,12,14,17)
InChIKeyISUTYDMYPYOVNR-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.45
Rot. Bonds8

About 6-[[2-methoxyethyl(methyl)carbamoyl]amino]-6-oxohexanoic acid

6-[[2-methoxyethyl(methyl)carbamoyl]amino]-6-oxohexanoic acid (PubChem CID 61428231) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is 6-[[2-methoxyethyl(methyl)carbamoyl]amino]-6-oxohexanoic acid.

Molecular Properties

Compound Name6-[[2-methoxyethyl(methyl)carbamoyl]amino]-6-oxohexanoic acid
PubChem CID61428231
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name6-[[2-methoxyethyl(methyl)carbamoyl]amino]-6-oxohexanoic acid
SMILESCOCCN(C)C(=O)NC(=O)CCCCC(=O)O
InChIInChI=1S/C11H20N2O5/c1-13(7-8-18-2)11(17)12-9(14)5-3-4-6-10(15)16/h3-8H2,1-2H3,(H,15,16)(H,12,14,17)
InChIKeyISUTYDMYPYOVNR-UHFFFAOYSA-N
XLogP0.45
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-5-oxopentanoic acid
CID 61452865
6-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]-6-oxohexanoic acid
CID 61452796
5-[[ethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid
CID 43263658
4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4-oxobutanoic acid
CID 63700596
2-[1-[2-[[2-methoxyethyl(methyl)carbamoyl]amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61428276
4-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]-4-oxobutanoic acid
CID 103339539
6-[[methyl(propan-2-yl)carbamoyl]amino]-6-oxohexanoic acid
CID 43447310
3-[[3-methoxypropyl(methyl)carbamoyl]amino]propanoic acid
CID 62997589
6-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]-6-oxohexanoic acid
CID 60951961
3-[2-methoxyethyl(methyl)amino]-3-oxopropanoic acid
CID 62230101
5-[2-methoxyethyl(3-methoxypropyl)amino]pentanoic acid
CID 55137663
6-[[3-(dimethylamino)propyl-ethylcarbamoyl]amino]-6-oxohexanoic acid
CID 102994623

Frequently Asked Questions

What is the IUPAC name of 6-[[2-methoxyethyl(methyl)carbamoyl]amino]-6-oxohexanoic acid?
The IUPAC name of 6-[[2-methoxyethyl(methyl)carbamoyl]amino]-6-oxohexanoic acid (CID 61428231) is 6-[[2-methoxyethyl(methyl)carbamoyl]amino]-6-oxohexanoic acid.
What is the SMILES notation for 6-[[2-methoxyethyl(methyl)carbamoyl]amino]-6-oxohexanoic acid?
The canonical SMILES for 6-[[2-methoxyethyl(methyl)carbamoyl]amino]-6-oxohexanoic acid is COCCN(C)C(=O)NC(=O)CCCCC(=O)O.
What is the InChIKey of 6-[[2-methoxyethyl(methyl)carbamoyl]amino]-6-oxohexanoic acid?
The InChIKey is ISUTYDMYPYOVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-13(7-8-18-2)11(17)12-9(14)5-3-4-6-10(15)16/h3-8H2,1-2H3,(H,15,16)(H,12,14,17).
What are the key properties of 6-[[2-methoxyethyl(methyl)carbamoyl]amino]-6-oxohexanoic acid?
6-[[2-methoxyethyl(methyl)carbamoyl]amino]-6-oxohexanoic acid has a molecular weight of 260.29 g/mol, XLogP of 0.45, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-methoxyethyl(methyl)carbamoyl]amino]-6-oxohexanoic acid is sourced from PubChem (CID 61428231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).