5-methoxy-2-[[methyl(pentyl)carbamoyl]amino]pentanoic acid

C13H26N2O4 — CID 81085427

IUPAC5-methoxy-2-[[methyl(pentyl)carbamoyl]amino]pentanoic acid
SMILESCCCCCN(C)C(=O)NC(CCCOC)C(=O)O
InChIInChI=1S/C13H26N2O4/c1-4-5-6-9-15(2)13(18)14-11(12(16)17)8-7-10-19-3/h11H,4-10H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyUNEQXEUHNVHURX-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.70
Rot. Bonds10

About 5-methoxy-2-[[methyl(pentyl)carbamoyl]amino]pentanoic acid

5-methoxy-2-[[methyl(pentyl)carbamoyl]amino]pentanoic acid (PubChem CID 81085427) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is 5-methoxy-2-[[methyl(pentyl)carbamoyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-methoxy-2-[[methyl(pentyl)carbamoyl]amino]pentanoic acid
PubChem CID81085427
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC Name5-methoxy-2-[[methyl(pentyl)carbamoyl]amino]pentanoic acid
SMILESCCCCCN(C)C(=O)NC(CCCOC)C(=O)O
InChIInChI=1S/C13H26N2O4/c1-4-5-6-9-15(2)13(18)14-11(12(16)17)8-7-10-19-3/h11H,4-10H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyUNEQXEUHNVHURX-UHFFFAOYSA-N
XLogP1.70
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[[3-methoxypropyl(methyl)carbamoyl]amino]pentanoic acid
CID 107566916
5-methoxy-2-[[methyl-[3-(methylamino)propyl]carbamoyl]amino]pentanoic acid
CID 81081490
(2S)-4-hydroxy-2-[[methyl(pentyl)carbamoyl]amino]butanoic acid
CID 107826115
2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]-5-methoxypentanoic acid
CID 81085623
2-[[butyl(methyl)carbamoyl]amino]pentanoic acid
CID 61184623
(2S)-3-hydroxy-2-[[3-methoxypropyl(methyl)carbamoyl]amino]propanoic acid
CID 62996884
(2R)-2-[[butyl(methyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 114005321
(2S)-5-amino-2-[[methyl(pentyl)carbamoyl]amino]-5-oxopentanoic acid
CID 61197974
2-[bis(2-methoxyethyl)carbamoylamino]hexanoic acid
CID 61418314
(2S)-2-[[2-hydroxyethyl(methyl)carbamoyl]amino]hexanoic acid
CID 107145575
4-amino-2-[[methyl(pentyl)carbamoyl]amino]-4-oxobutanoic acid
CID 61198911
(2R)-4-amino-2-[[methyl(pentyl)carbamoyl]amino]-4-oxobutanoic acid
CID 107826113

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[[methyl(pentyl)carbamoyl]amino]pentanoic acid?
The IUPAC name of 5-methoxy-2-[[methyl(pentyl)carbamoyl]amino]pentanoic acid (CID 81085427) is 5-methoxy-2-[[methyl(pentyl)carbamoyl]amino]pentanoic acid.
What is the SMILES notation for 5-methoxy-2-[[methyl(pentyl)carbamoyl]amino]pentanoic acid?
The canonical SMILES for 5-methoxy-2-[[methyl(pentyl)carbamoyl]amino]pentanoic acid is CCCCCN(C)C(=O)NC(CCCOC)C(=O)O.
What is the InChIKey of 5-methoxy-2-[[methyl(pentyl)carbamoyl]amino]pentanoic acid?
The InChIKey is UNEQXEUHNVHURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4/c1-4-5-6-9-15(2)13(18)14-11(12(16)17)8-7-10-19-3/h11H,4-10H2,1-3H3,(H,14,18)(H,16,17).
What are the key properties of 5-methoxy-2-[[methyl(pentyl)carbamoyl]amino]pentanoic acid?
5-methoxy-2-[[methyl(pentyl)carbamoyl]amino]pentanoic acid has a molecular weight of 274.36 g/mol, XLogP of 1.70, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[[methyl(pentyl)carbamoyl]amino]pentanoic acid is sourced from PubChem (CID 81085427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).