5-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]hexanoic acid

C13H26N2O4 — CID 82848023

IUPAC5-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)N(C)CCOC(C)C
InChIInChI=1S/C13H26N2O4/c1-10(2)19-9-8-15(4)13(18)14-11(3)6-5-7-12(16)17/h10-11H,5-9H2,1-4H3,(H,14,18)(H,16,17)
InChIKeyZBZRXCNSWIPQIS-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.70
Rot. Bonds9

About 5-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]hexanoic acid

5-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]hexanoic acid (PubChem CID 82848023) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is 5-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]hexanoic acid.

Molecular Properties

Compound Name5-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]hexanoic acid
PubChem CID82848023
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC Name5-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)N(C)CCOC(C)C
InChIInChI=1S/C13H26N2O4/c1-10(2)19-9-8-15(4)13(18)14-11(3)6-5-7-12(16)17/h10-11H,5-9H2,1-4H3,(H,14,18)(H,16,17)
InChIKeyZBZRXCNSWIPQIS-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]pentanoic acid
CID 81057575
5-[[methyl(3-methylbutyl)carbamoyl]amino]hexanoic acid
CID 82848330
5-[[methyl(2-methylsulfanylethyl)carbamoyl]amino]hexanoic acid
CID 112662505
3-[methyl(octan-2-ylcarbamoyl)amino]propanoic acid
CID 61478809
(2R)-3-methyl-2-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid
CID 81061955
2-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]pentanoic acid
CID 81058135
3-[1-methoxypropan-2-ylcarbamoyl(methyl)amino]propanoic acid
CID 61181719
3-[methyl(pentan-2-ylcarbamoyl)amino]propanoic acid
CID 61181867
3-amino-1-methyl-1-(2-propan-2-yloxyethyl)urea
CID 81062243
6-[[2-methoxyethyl(methyl)carbamoyl]amino]-2-methylheptanoic acid
CID 65289568
5-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]hexanoic acid
CID 106917295
5-[[cyclopentylmethyl(methyl)carbamoyl]amino]hexanoic acid
CID 82848349

Frequently Asked Questions

What is the IUPAC name of 5-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]hexanoic acid?
The IUPAC name of 5-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]hexanoic acid (CID 82848023) is 5-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]hexanoic acid.
What is the SMILES notation for 5-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]hexanoic acid?
The canonical SMILES for 5-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]hexanoic acid is CC(CCCC(=O)O)NC(=O)N(C)CCOC(C)C.
What is the InChIKey of 5-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]hexanoic acid?
The InChIKey is ZBZRXCNSWIPQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4/c1-10(2)19-9-8-15(4)13(18)14-11(3)6-5-7-12(16)17/h10-11H,5-9H2,1-4H3,(H,14,18)(H,16,17).
What are the key properties of 5-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]hexanoic acid?
5-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]hexanoic acid has a molecular weight of 274.36 g/mol, XLogP of 1.70, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]hexanoic acid is sourced from PubChem (CID 82848023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).