2-ethyl-2-[[3-methoxypropyl(methyl)carbamoyl]amino]butanoic acid

C12H24N2O4 — CID 79803516

IUPAC2-ethyl-2-[[3-methoxypropyl(methyl)carbamoyl]amino]butanoic acid
SMILESCCC(CC)(NC(=O)N(C)CCCOC)C(=O)O
InChIInChI=1S/C12H24N2O4/c1-5-12(6-2,10(15)16)13-11(17)14(3)8-7-9-18-4/h5-9H2,1-4H3,(H,13,17)(H,15,16)
InChIKeyZHWLOCMUFXCMPZ-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.31
Rot. Bonds8

About 2-ethyl-2-[[3-methoxypropyl(methyl)carbamoyl]amino]butanoic acid

2-ethyl-2-[[3-methoxypropyl(methyl)carbamoyl]amino]butanoic acid (PubChem CID 79803516) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is 2-ethyl-2-[[3-methoxypropyl(methyl)carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[[3-methoxypropyl(methyl)carbamoyl]amino]butanoic acid
PubChem CID79803516
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name2-ethyl-2-[[3-methoxypropyl(methyl)carbamoyl]amino]butanoic acid
SMILESCCC(CC)(NC(=O)N(C)CCCOC)C(=O)O
InChIInChI=1S/C12H24N2O4/c1-5-12(6-2,10(15)16)13-11(17)14(3)8-7-9-18-4/h5-9H2,1-4H3,(H,13,17)(H,15,16)
InChIKeyZHWLOCMUFXCMPZ-UHFFFAOYSA-N
XLogP1.31
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.31
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

2-ethyl-2-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]amino]butanoic acid
CID 79815042
2-ethyl-2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]butanoic acid
CID 79803567
2-[[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]amino]-2-ethylbutanoic acid
CID 79804656
2-ethyl-2-(4-methoxybutylamino)butanoic acid
CID 115595143
2-(cyclopropylamino)-2-ethyl-5-[3-methoxypropyl(methyl)amino]pentanoic acid
CID 106806182
3-[[3-methoxypropyl(methyl)carbamoyl]amino]propanoic acid
CID 62997589
2-[[3-methoxypropyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
CID 62996165
2-ethyl-2-(3-methoxypropylsulfonylamino)butanoic acid
CID 79806636
(2R)-2-[[3-methoxypropyl(methyl)carbamoyl]amino]pentanoic acid
CID 107566916
(2S)-3-hydroxy-2-[[3-methoxypropyl(methyl)carbamoyl]amino]propanoic acid
CID 62996884
2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-2-ethylbutanoic acid
CID 79803996
(2S)-2-hydroxy-3-[[3-methoxypropyl(methyl)carbamoyl]amino]propanoic acid
CID 107839821

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[3-methoxypropyl(methyl)carbamoyl]amino]butanoic acid?
The IUPAC name of 2-ethyl-2-[[3-methoxypropyl(methyl)carbamoyl]amino]butanoic acid (CID 79803516) is 2-ethyl-2-[[3-methoxypropyl(methyl)carbamoyl]amino]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[[3-methoxypropyl(methyl)carbamoyl]amino]butanoic acid?
The canonical SMILES for 2-ethyl-2-[[3-methoxypropyl(methyl)carbamoyl]amino]butanoic acid is CCC(CC)(NC(=O)N(C)CCCOC)C(=O)O.
What is the InChIKey of 2-ethyl-2-[[3-methoxypropyl(methyl)carbamoyl]amino]butanoic acid?
The InChIKey is ZHWLOCMUFXCMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-5-12(6-2,10(15)16)13-11(17)14(3)8-7-9-18-4/h5-9H2,1-4H3,(H,13,17)(H,15,16).
What are the key properties of 2-ethyl-2-[[3-methoxypropyl(methyl)carbamoyl]amino]butanoic acid?
2-ethyl-2-[[3-methoxypropyl(methyl)carbamoyl]amino]butanoic acid has a molecular weight of 260.33 g/mol, XLogP of 1.31, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[3-methoxypropyl(methyl)carbamoyl]amino]butanoic acid is sourced from PubChem (CID 79803516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).