2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid

C11H22N2O4S — CID 54948450

IUPAC2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid
SMILESCCN(CCOC)C(=O)NC(CCSC)C(=O)O
InChIInChI=1S/C11H22N2O4S/c1-4-13(6-7-17-2)11(16)12-9(10(14)15)5-8-18-3/h9H,4-8H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyNGRNZQBSORTGCO-UHFFFAOYSA-N
MW278.37 g/mol
LogP0.87
Rot. Bonds9

About 2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid

2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid (PubChem CID 54948450) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is 2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid.

Molecular Properties

Compound Name2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid
PubChem CID54948450
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Name2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid
SMILESCCN(CCOC)C(=O)NC(CCSC)C(=O)O
InChIInChI=1S/C11H22N2O4S/c1-4-13(6-7-17-2)11(16)12-9(10(14)15)5-8-18-3/h9H,4-8H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyNGRNZQBSORTGCO-UHFFFAOYSA-N
XLogP0.87
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[ethyl(propyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 61195653
2-(diethylcarbamoylamino)-4-methylsulfanylbutanoic acid
CID 61186777
(2R)-2-[[ethyl(3-hydroxypropyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 104910595
2-[[ethyl(2-methoxyethyl)carbamoyl]amino]butanoic acid
CID 61447549
(2R)-2-[[3-(dimethylamino)propyl-ethylcarbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 102995366
(2S)-2-[[2-cyanoethyl(ethyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 54988459
2-[bis(2-methoxyethyl)carbamoylamino]pentanoic acid
CID 61418362
2-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 61184704
(2S)-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methoxy-4-oxobutanoic acid
CID 63305117
2-[bis(2-methoxyethyl)carbamoylamino]hexanoic acid
CID 61418314
(2S)-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 54947939
(2R)-2-[[ethyl(methyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 104906564

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid?
The IUPAC name of 2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid (CID 54948450) is 2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid.
What is the SMILES notation for 2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid?
The canonical SMILES for 2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid is CCN(CCOC)C(=O)NC(CCSC)C(=O)O.
What is the InChIKey of 2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid?
The InChIKey is NGRNZQBSORTGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-4-13(6-7-17-2)11(16)12-9(10(14)15)5-8-18-3/h9H,4-8H2,1-3H3,(H,12,16)(H,14,15).
What are the key properties of 2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid?
2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid has a molecular weight of 278.37 g/mol, XLogP of 0.87, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid is sourced from PubChem (CID 54948450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).