3-methylbutyl 2-(carbamoylamino)acetate

C8H16N2O3 — CID 90702776

IUPAC3-methylbutyl 2-(carbamoylamino)acetate
SMILESCC(C)CCOC(=O)CNC(N)=O
InChIInChI=1S/C8H16N2O3/c1-6(2)3-4-13-7(11)5-10-8(9)12/h6H,3-5H2,1-2H3,(H3,9,10,12)
InChIKeyMZPYEDZRGODYBG-UHFFFAOYSA-N
MW188.23 g/mol
LogP0.24
Rot. Bonds5

About 3-methylbutyl 2-(carbamoylamino)acetate

3-methylbutyl 2-(carbamoylamino)acetate (PubChem CID 90702776) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 3-methylbutyl 2-(carbamoylamino)acetate.

Molecular Properties

Compound Name3-methylbutyl 2-(carbamoylamino)acetate
PubChem CID90702776
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name3-methylbutyl 2-(carbamoylamino)acetate
SMILESCC(C)CCOC(=O)CNC(N)=O
InChIInChI=1S/C8H16N2O3/c1-6(2)3-4-13-7(11)5-10-8(9)12/h6H,3-5H2,1-2H3,(H3,9,10,12)
InChIKeyMZPYEDZRGODYBG-UHFFFAOYSA-N
XLogP0.24
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methylbutyl 2-(carbamoylamino)acetate?
The IUPAC name of 3-methylbutyl 2-(carbamoylamino)acetate (CID 90702776) is 3-methylbutyl 2-(carbamoylamino)acetate.
What is the SMILES notation for 3-methylbutyl 2-(carbamoylamino)acetate?
The canonical SMILES for 3-methylbutyl 2-(carbamoylamino)acetate is CC(C)CCOC(=O)CNC(N)=O.
What is the InChIKey of 3-methylbutyl 2-(carbamoylamino)acetate?
The InChIKey is MZPYEDZRGODYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-6(2)3-4-13-7(11)5-10-8(9)12/h6H,3-5H2,1-2H3,(H3,9,10,12).
What are the key properties of 3-methylbutyl 2-(carbamoylamino)acetate?
3-methylbutyl 2-(carbamoylamino)acetate has a molecular weight of 188.23 g/mol, XLogP of 0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutyl 2-(carbamoylamino)acetate is sourced from PubChem (CID 90702776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).