2-[2-oxo-2-(2,3,3-trimethylbutylcarbamoylamino)ethoxy]acetic acid

C12H22N2O5 — CID 83143403

IUPAC2-[2-oxo-2-(2,3,3-trimethylbutylcarbamoylamino)ethoxy]acetic acid
SMILESCC(CNC(=O)NC(=O)COCC(=O)O)C(C)(C)C
InChIInChI=1S/C12H22N2O5/c1-8(12(2,3)4)5-13-11(18)14-9(15)6-19-7-10(16)17/h8H,5-7H2,1-4H3,(H,16,17)(H2,13,14,15,18)
InChIKeyXYFOUQROWQTCPE-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.60
Rot. Bonds6

About 2-[2-oxo-2-(2,3,3-trimethylbutylcarbamoylamino)ethoxy]acetic acid

2-[2-oxo-2-(2,3,3-trimethylbutylcarbamoylamino)ethoxy]acetic acid (PubChem CID 83143403) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[2-oxo-2-(2,3,3-trimethylbutylcarbamoylamino)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-oxo-2-(2,3,3-trimethylbutylcarbamoylamino)ethoxy]acetic acid
PubChem CID83143403
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Name2-[2-oxo-2-(2,3,3-trimethylbutylcarbamoylamino)ethoxy]acetic acid
SMILESCC(CNC(=O)NC(=O)COCC(=O)O)C(C)(C)C
InChIInChI=1S/C12H22N2O5/c1-8(12(2,3)4)5-13-11(18)14-9(15)6-19-7-10(16)17/h8H,5-7H2,1-4H3,(H,16,17)(H2,13,14,15,18)
InChIKeyXYFOUQROWQTCPE-UHFFFAOYSA-N
XLogP0.60
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(2,3,3-trimethylbutylcarbamoylamino)acetyl]amino]acetic acid
CID 83144191
2-[2-oxo-2-(pentan-3-ylcarbamoylamino)ethoxy]acetic acid
CID 61328669
2-[2-(3-ethylpentan-3-ylcarbamoylamino)-2-oxoethoxy]acetic acid
CID 65041410
5-(2,3-dimethylbutylcarbamoylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 64599578
1-propan-2-yl-3-(2,3,3-trimethylbutyl)urea
CID 115629659
2-[2-[[2-(dimethylamino)-3-methylbutyl]amino]-2-oxoethoxy]acetic acid
CID 61328234
4-(2,3,3-trimethylbutylcarbamoylamino)butanoic acid
CID 83143236
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-(heptan-2-ylcarbamoylamino)-2-oxoethoxy]acetic acid
CID 61465594
2-oxo-2-(2,3,3-trimethylbutylamino)acetic acid
CID 83143356
2-[2-(octan-2-ylcarbamoylamino)-2-oxoethoxy]acetic acid
CID 61478499

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-(2,3,3-trimethylbutylcarbamoylamino)ethoxy]acetic acid?
The IUPAC name of 2-[2-oxo-2-(2,3,3-trimethylbutylcarbamoylamino)ethoxy]acetic acid (CID 83143403) is 2-[2-oxo-2-(2,3,3-trimethylbutylcarbamoylamino)ethoxy]acetic acid.
What is the SMILES notation for 2-[2-oxo-2-(2,3,3-trimethylbutylcarbamoylamino)ethoxy]acetic acid?
The canonical SMILES for 2-[2-oxo-2-(2,3,3-trimethylbutylcarbamoylamino)ethoxy]acetic acid is CC(CNC(=O)NC(=O)COCC(=O)O)C(C)(C)C.
What is the InChIKey of 2-[2-oxo-2-(2,3,3-trimethylbutylcarbamoylamino)ethoxy]acetic acid?
The InChIKey is XYFOUQROWQTCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5/c1-8(12(2,3)4)5-13-11(18)14-9(15)6-19-7-10(16)17/h8H,5-7H2,1-4H3,(H,16,17)(H2,13,14,15,18).
What are the key properties of 2-[2-oxo-2-(2,3,3-trimethylbutylcarbamoylamino)ethoxy]acetic acid?
2-[2-oxo-2-(2,3,3-trimethylbutylcarbamoylamino)ethoxy]acetic acid has a molecular weight of 274.32 g/mol, XLogP of 0.60, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-(2,3,3-trimethylbutylcarbamoylamino)ethoxy]acetic acid is sourced from PubChem (CID 83143403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).