2-[2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-2-oxoethoxy]acetic acid

C13H24N2O5 — CID 61437723

IUPAC2-[2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-2-oxoethoxy]acetic acid
SMILESCCC(CC)CN(CC)C(=O)NC(=O)COCC(=O)O
InChIInChI=1S/C13H24N2O5/c1-4-10(5-2)7-15(6-3)13(19)14-11(16)8-20-9-12(17)18/h10H,4-9H2,1-3H3,(H,17,18)(H,14,16,19)
InChIKeyITIIIOWYUFPOBJ-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.08
Rot. Bonds9

About 2-[2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-2-oxoethoxy]acetic acid

2-[2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-2-oxoethoxy]acetic acid (PubChem CID 61437723) has the molecular formula C13H24N2O5 and a molecular weight of 288.34 g/mol. Its IUPAC name is 2-[2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-2-oxoethoxy]acetic acid
PubChem CID61437723
Molecular FormulaC13H24N2O5
Molecular Weight288.34 g/mol
Exact Mass288.17
IUPAC Name2-[2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-2-oxoethoxy]acetic acid
SMILESCCC(CC)CN(CC)C(=O)NC(=O)COCC(=O)O
InChIInChI=1S/C13H24N2O5/c1-4-10(5-2)7-15(6-3)13(19)14-11(16)8-20-9-12(17)18/h10H,4-9H2,1-3H3,(H,17,18)(H,14,16,19)
InChIKeyITIIIOWYUFPOBJ-UHFFFAOYSA-N
XLogP1.08
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid
CID 55008818
2-[2-[[2-cyanopropyl(ethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid
CID 54988828
2-[2-(dibutylcarbamoylamino)-2-oxoethoxy]acetic acid
CID 61329439
2-[2-[bis(prop-2-enyl)carbamoylamino]-2-oxoethoxy]acetic acid
CID 61328855
3-amino-1-ethyl-1-(2-ethylbutyl)urea
CID 61438084
2-[2-[ethyl(2-methylbutyl)amino]-2-oxoethoxy]acetic acid
CID 79477429
2-[2-oxo-2-(pentan-3-ylcarbamoylamino)ethoxy]acetic acid
CID 61328669
1-ethyl-1-(2-ethylbutyl)-3-propylurea
CID 115583094
(2S)-2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-3-methylbutanoic acid
CID 61438075
5-[[ethyl(2-methylpropyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid
CID 62966207
2-[ethyl-[ethyl(2-ethylbutyl)carbamoyl]amino]acetic acid
CID 61437536
2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-3-hydroxybutanoic acid
CID 61437732

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-2-oxoethoxy]acetic acid (CID 61437723) is 2-[2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-2-oxoethoxy]acetic acid is CCC(CC)CN(CC)C(=O)NC(=O)COCC(=O)O.
What is the InChIKey of 2-[2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-2-oxoethoxy]acetic acid?
The InChIKey is ITIIIOWYUFPOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5/c1-4-10(5-2)7-15(6-3)13(19)14-11(16)8-20-9-12(17)18/h10H,4-9H2,1-3H3,(H,17,18)(H,14,16,19).
What are the key properties of 2-[2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-2-oxoethoxy]acetic acid?
2-[2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-2-oxoethoxy]acetic acid has a molecular weight of 288.34 g/mol, XLogP of 1.08, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 61437723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).