2-[2-(3-ethylpentan-3-ylcarbamoylamino)-2-oxoethoxy]acetic acid

C12H22N2O5 — CID 65041410

IUPAC2-[2-(3-ethylpentan-3-ylcarbamoylamino)-2-oxoethoxy]acetic acid
SMILESCCC(CC)(CC)NC(=O)NC(=O)COCC(=O)O
InChIInChI=1S/C12H22N2O5/c1-4-12(5-2,6-3)14-11(18)13-9(15)7-19-8-10(16)17/h4-8H2,1-3H3,(H,16,17)(H2,13,14,15,18)
InChIKeySERLMWISBRXWFV-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.88
Rot. Bonds8

About 2-[2-(3-ethylpentan-3-ylcarbamoylamino)-2-oxoethoxy]acetic acid

2-[2-(3-ethylpentan-3-ylcarbamoylamino)-2-oxoethoxy]acetic acid (PubChem CID 65041410) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[2-(3-ethylpentan-3-ylcarbamoylamino)-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(3-ethylpentan-3-ylcarbamoylamino)-2-oxoethoxy]acetic acid
PubChem CID65041410
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Name2-[2-(3-ethylpentan-3-ylcarbamoylamino)-2-oxoethoxy]acetic acid
SMILESCCC(CC)(CC)NC(=O)NC(=O)COCC(=O)O
InChIInChI=1S/C12H22N2O5/c1-4-12(5-2,6-3)14-11(18)13-9(15)7-19-8-10(16)17/h4-8H2,1-3H3,(H,16,17)(H2,13,14,15,18)
InChIKeySERLMWISBRXWFV-UHFFFAOYSA-N
XLogP0.88
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-oxo-2-(pentan-3-ylcarbamoylamino)ethoxy]acetic acid
CID 61328669
2-[2-[(1-ethylcyclobutyl)carbamoylamino]-2-oxoethoxy]acetic acid
CID 113488835
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-(heptan-2-ylcarbamoylamino)-2-oxoethoxy]acetic acid
CID 61465594
2-[2-(octan-2-ylcarbamoylamino)-2-oxoethoxy]acetic acid
CID 61478499
2-[2-[(4-ethylphenyl)carbamoylamino]-2-oxoethoxy]acetic acid
CID 61328874
2-[2-(carbamothioylamino)-2-oxoethoxy]acetic acid
CID 87676961
2-[2-(hex-5-yn-3-ylcarbamoylamino)-2-oxoethoxy]acetic acid
CID 113477621
2-[2-(6-methylheptan-2-ylcarbamoylamino)-2-oxoethoxy]acetic acid
CID 61470498
2-[2-[(2,3-dimethylcyclohexyl)carbamoylamino]-2-oxoethoxy]acetic acid
CID 61328684
2-[2-(4-methylsulfanylbutan-2-ylcarbamoylamino)-2-oxoethoxy]acetic acid
CID 113477618

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-ethylpentan-3-ylcarbamoylamino)-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-(3-ethylpentan-3-ylcarbamoylamino)-2-oxoethoxy]acetic acid (CID 65041410) is 2-[2-(3-ethylpentan-3-ylcarbamoylamino)-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-(3-ethylpentan-3-ylcarbamoylamino)-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-(3-ethylpentan-3-ylcarbamoylamino)-2-oxoethoxy]acetic acid is CCC(CC)(CC)NC(=O)NC(=O)COCC(=O)O.
What is the InChIKey of 2-[2-(3-ethylpentan-3-ylcarbamoylamino)-2-oxoethoxy]acetic acid?
The InChIKey is SERLMWISBRXWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5/c1-4-12(5-2,6-3)14-11(18)13-9(15)7-19-8-10(16)17/h4-8H2,1-3H3,(H,16,17)(H2,13,14,15,18).
What are the key properties of 2-[2-(3-ethylpentan-3-ylcarbamoylamino)-2-oxoethoxy]acetic acid?
2-[2-(3-ethylpentan-3-ylcarbamoylamino)-2-oxoethoxy]acetic acid has a molecular weight of 274.32 g/mol, XLogP of 0.88, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-ethylpentan-3-ylcarbamoylamino)-2-oxoethoxy]acetic acid is sourced from PubChem (CID 65041410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).