2-[2-oxo-2-(pentan-3-ylcarbamoylamino)ethoxy]acetic acid

C10H18N2O5 — CID 61328669

IUPAC2-[2-oxo-2-(pentan-3-ylcarbamoylamino)ethoxy]acetic acid
SMILESCCC(CC)NC(=O)NC(=O)COCC(=O)O
InChIInChI=1S/C10H18N2O5/c1-3-7(4-2)11-10(16)12-8(13)5-17-6-9(14)15/h7H,3-6H2,1-2H3,(H,14,15)(H2,11,12,13,16)
InChIKeyYKTZJLKFTUQRCP-UHFFFAOYSA-N
MW246.26 g/mol
LogP0.10
Rot. Bonds7

About 2-[2-oxo-2-(pentan-3-ylcarbamoylamino)ethoxy]acetic acid

2-[2-oxo-2-(pentan-3-ylcarbamoylamino)ethoxy]acetic acid (PubChem CID 61328669) has the molecular formula C10H18N2O5 and a molecular weight of 246.26 g/mol. Its IUPAC name is 2-[2-oxo-2-(pentan-3-ylcarbamoylamino)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-oxo-2-(pentan-3-ylcarbamoylamino)ethoxy]acetic acid
PubChem CID61328669
Molecular FormulaC10H18N2O5
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name2-[2-oxo-2-(pentan-3-ylcarbamoylamino)ethoxy]acetic acid
SMILESCCC(CC)NC(=O)NC(=O)COCC(=O)O
InChIInChI=1S/C10H18N2O5/c1-3-7(4-2)11-10(16)12-8(13)5-17-6-9(14)15/h7H,3-6H2,1-2H3,(H,14,15)(H2,11,12,13,16)
InChIKeyYKTZJLKFTUQRCP-UHFFFAOYSA-N
XLogP0.10
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(hex-5-yn-3-ylcarbamoylamino)-2-oxoethoxy]acetic acid
CID 113477621
2-[2-(heptan-2-ylcarbamoylamino)-2-oxoethoxy]acetic acid
CID 61465594
2-[2-(octan-2-ylcarbamoylamino)-2-oxoethoxy]acetic acid
CID 61478499
2-[2-(6-methylheptan-2-ylcarbamoylamino)-2-oxoethoxy]acetic acid
CID 61470498
2-[2-(4-methylsulfanylbutan-2-ylcarbamoylamino)-2-oxoethoxy]acetic acid
CID 113477618
2-[2-(3-ethylpentan-3-ylcarbamoylamino)-2-oxoethoxy]acetic acid
CID 65041410
2-[1-[2-oxo-2-(pentan-3-ylcarbamoylamino)ethyl]cyclopentyl]acetic acid
CID 61072069
2-[2-oxo-2-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)ethoxy]acetic acid
CID 61460963
2-[2-oxo-2-(2,3,3-trimethylbutylcarbamoylamino)ethoxy]acetic acid
CID 83143403
2-[2-[(4-ethylcyclohexyl)carbamoylamino]-2-oxoethoxy]acetic acid
CID 61468508
2-[2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-2-oxoethoxy]acetic acid
CID 61437723
2-[2-[(1-ethylcyclobutyl)carbamoylamino]-2-oxoethoxy]acetic acid
CID 113488835

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-(pentan-3-ylcarbamoylamino)ethoxy]acetic acid?
The IUPAC name of 2-[2-oxo-2-(pentan-3-ylcarbamoylamino)ethoxy]acetic acid (CID 61328669) is 2-[2-oxo-2-(pentan-3-ylcarbamoylamino)ethoxy]acetic acid.
What is the SMILES notation for 2-[2-oxo-2-(pentan-3-ylcarbamoylamino)ethoxy]acetic acid?
The canonical SMILES for 2-[2-oxo-2-(pentan-3-ylcarbamoylamino)ethoxy]acetic acid is CCC(CC)NC(=O)NC(=O)COCC(=O)O.
What is the InChIKey of 2-[2-oxo-2-(pentan-3-ylcarbamoylamino)ethoxy]acetic acid?
The InChIKey is YKTZJLKFTUQRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O5/c1-3-7(4-2)11-10(16)12-8(13)5-17-6-9(14)15/h7H,3-6H2,1-2H3,(H,14,15)(H2,11,12,13,16).
What are the key properties of 2-[2-oxo-2-(pentan-3-ylcarbamoylamino)ethoxy]acetic acid?
2-[2-oxo-2-(pentan-3-ylcarbamoylamino)ethoxy]acetic acid has a molecular weight of 246.26 g/mol, XLogP of 0.10, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-(pentan-3-ylcarbamoylamino)ethoxy]acetic acid is sourced from PubChem (CID 61328669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).