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

C13H26N2O4 — CID 65289568

IUPAC6-[[2-methoxyethyl(methyl)carbamoyl]amino]-2-methylheptanoic acid
SMILESCOCCN(C)C(=O)NC(C)CCCC(C)C(=O)O
InChIInChI=1S/C13H26N2O4/c1-10(12(16)17)6-5-7-11(2)14-13(18)15(3)8-9-19-4/h10-11H,5-9H2,1-4H3,(H,14,18)(H,16,17)
InChIKeyBDQWZTAQARVKMY-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.55
Rot. Bonds9

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

6-[[2-methoxyethyl(methyl)carbamoyl]amino]-2-methylheptanoic acid (PubChem CID 65289568) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is 6-[[2-methoxyethyl(methyl)carbamoyl]amino]-2-methylheptanoic acid.

Molecular Properties

Compound Name6-[[2-methoxyethyl(methyl)carbamoyl]amino]-2-methylheptanoic acid
PubChem CID65289568
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC Name6-[[2-methoxyethyl(methyl)carbamoyl]amino]-2-methylheptanoic acid
SMILESCOCCN(C)C(=O)NC(C)CCCC(C)C(=O)O
InChIInChI=1S/C13H26N2O4/c1-10(12(16)17)6-5-7-11(2)14-13(18)15(3)8-9-19-4/h10-11H,5-9H2,1-4H3,(H,14,18)(H,16,17)
InChIKeyBDQWZTAQARVKMY-UHFFFAOYSA-N
XLogP1.55
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-2-[[2-methoxyethyl(methyl)carbamoyl]amino]propanoic acid
CID 81086301
(2R)-2-[[2-methoxyethyl(methyl)carbamoyl]amino]-3-methylbutanoic acid
CID 79010163
(2S)-5-methoxy-2-[[2-methoxyethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid
CID 114005480
5-methoxy-2-[[methyl(pentyl)carbamoyl]amino]pentanoic acid
CID 81085427
5-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]hexanoic acid
CID 82848023
(2R)-2-[[3-methoxypropyl(methyl)carbamoyl]amino]pentanoic acid
CID 107566916
5-methoxy-2-[[methyl-[3-(methylamino)propyl]carbamoyl]amino]pentanoic acid
CID 81081490
1-(2-methoxyethyl)-1-methyl-3-[(2R)-4-pyrazol-1-ylbutan-2-yl]urea
CID 126453238
3-[1-methoxypropan-2-ylcarbamoyl(methyl)amino]propanoic acid
CID 61181719
(2S)-3-hydroxy-2-[[3-methoxypropyl(methyl)carbamoyl]amino]propanoic acid
CID 62996884
6-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-2-methylheptanoic acid
CID 65289849
2-methyl-6-[[methyl(phenyl)carbamoyl]amino]heptanoic acid
CID 65285289

Frequently Asked Questions

What is the IUPAC name of 6-[[2-methoxyethyl(methyl)carbamoyl]amino]-2-methylheptanoic acid?
The IUPAC name of 6-[[2-methoxyethyl(methyl)carbamoyl]amino]-2-methylheptanoic acid (CID 65289568) is 6-[[2-methoxyethyl(methyl)carbamoyl]amino]-2-methylheptanoic acid.
What is the SMILES notation for 6-[[2-methoxyethyl(methyl)carbamoyl]amino]-2-methylheptanoic acid?
The canonical SMILES for 6-[[2-methoxyethyl(methyl)carbamoyl]amino]-2-methylheptanoic acid is COCCN(C)C(=O)NC(C)CCCC(C)C(=O)O.
What is the InChIKey of 6-[[2-methoxyethyl(methyl)carbamoyl]amino]-2-methylheptanoic acid?
The InChIKey is BDQWZTAQARVKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4/c1-10(12(16)17)6-5-7-11(2)14-13(18)15(3)8-9-19-4/h10-11H,5-9H2,1-4H3,(H,14,18)(H,16,17).
What are the key properties of 6-[[2-methoxyethyl(methyl)carbamoyl]amino]-2-methylheptanoic acid?
6-[[2-methoxyethyl(methyl)carbamoyl]amino]-2-methylheptanoic acid has a molecular weight of 274.36 g/mol, XLogP of 1.55, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-methoxyethyl(methyl)carbamoyl]amino]-2-methylheptanoic acid is sourced from PubChem (CID 65289568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).