2-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-4-methylsulfonylbutanoic acid

C10H20N2O6S — CID 61207451

IUPAC2-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-4-methylsulfonylbutanoic acid
SMILESCCN(CCO)C(=O)NC(CCS(C)(=O)=O)C(=O)O
InChIInChI=1S/C10H20N2O6S/c1-3-12(5-6-13)10(16)11-8(9(14)15)4-7-19(2,17)18/h8,13H,3-7H2,1-2H3,(H,11,16)(H,14,15)
InChIKeyJIMGNIWTUJDSDF-UHFFFAOYSA-N
MW296.35 g/mol
LogP-1.10
Rot. Bonds8

About 2-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-4-methylsulfonylbutanoic acid

2-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-4-methylsulfonylbutanoic acid (PubChem CID 61207451) has the molecular formula C10H20N2O6S and a molecular weight of 296.35 g/mol. Its IUPAC name is 2-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-4-methylsulfonylbutanoic acid.

Molecular Properties

Compound Name2-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-4-methylsulfonylbutanoic acid
PubChem CID61207451
Molecular FormulaC10H20N2O6S
Molecular Weight296.35 g/mol
Exact Mass296.10
IUPAC Name2-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-4-methylsulfonylbutanoic acid
SMILESCCN(CCO)C(=O)NC(CCS(C)(=O)=O)C(=O)O
InChIInChI=1S/C10H20N2O6S/c1-3-12(5-6-13)10(16)11-8(9(14)15)4-7-19(2,17)18/h8,13H,3-7H2,1-2H3,(H,11,16)(H,14,15)
InChIKeyJIMGNIWTUJDSDF-UHFFFAOYSA-N
XLogP-1.10
TPSA124.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 5-1.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[bis(2-hydroxyethyl)carbamoylamino]-4-methylsulfonylbutanoic acid
CID 61233958
2-[[2-hydroxyethyl(methyl)carbamoyl]amino]-4-methylsulfonylbutanoic acid
CID 61206494
(2R)-2-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107826443
2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]-4-methylsulfonylbutanoic acid
CID 107400162
(2R)-2-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 78976504
2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]-4-methylsulfonylbutanoic acid
CID 113426163
2-[[5-hydroxypentyl(methyl)carbamoyl]amino]-4-methylsulfonylbutanoic acid
CID 107201639
2-[[2-cyanoethyl(ethyl)carbamoyl]amino]-4-hydroxybutanoic acid
CID 54988556
(2R)-2-[[butyl(ethyl)carbamoyl]amino]pentanoic acid
CID 107565990
(2R)-2-(dipropylcarbamoylamino)-4-hydroxybutanoic acid
CID 107825581
(2S)-2-[bis(2-hydroxyethyl)carbamoylamino]-3-hydroxypropanoic acid
CID 61233954
2-[bis(2-hydroxyethyl)carbamoylamino]-3-hydroxypropanoic acid
CID 61233586

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-4-methylsulfonylbutanoic acid?
The IUPAC name of 2-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-4-methylsulfonylbutanoic acid (CID 61207451) is 2-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-4-methylsulfonylbutanoic acid.
What is the SMILES notation for 2-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-4-methylsulfonylbutanoic acid?
The canonical SMILES for 2-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-4-methylsulfonylbutanoic acid is CCN(CCO)C(=O)NC(CCS(C)(=O)=O)C(=O)O.
What is the InChIKey of 2-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-4-methylsulfonylbutanoic acid?
The InChIKey is JIMGNIWTUJDSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O6S/c1-3-12(5-6-13)10(16)11-8(9(14)15)4-7-19(2,17)18/h8,13H,3-7H2,1-2H3,(H,11,16)(H,14,15).
What are the key properties of 2-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-4-methylsulfonylbutanoic acid?
2-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-4-methylsulfonylbutanoic acid has a molecular weight of 296.35 g/mol, XLogP of -1.10, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-4-methylsulfonylbutanoic acid is sourced from PubChem (CID 61207451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).