methyl 2-(3-oxobutylcarbamoylamino)acetate

C8H14N2O4 — CID 108895259

IUPACmethyl 2-(3-oxobutylcarbamoylamino)acetate
SMILESCOC(=O)CNC(=O)NCCC(C)=O
InChIInChI=1S/C8H14N2O4/c1-6(11)3-4-9-8(13)10-5-7(12)14-2/h3-5H2,1-2H3,(H2,9,10,13)
InChIKeyIBJVVINEQOTUCI-UHFFFAOYSA-N
MW202.21 g/mol
LogP-0.56
Rot. Bonds5

About methyl 2-(3-oxobutylcarbamoylamino)acetate

methyl 2-(3-oxobutylcarbamoylamino)acetate (PubChem CID 108895259) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is methyl 2-(3-oxobutylcarbamoylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(3-oxobutylcarbamoylamino)acetate
PubChem CID108895259
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Namemethyl 2-(3-oxobutylcarbamoylamino)acetate
SMILESCOC(=O)CNC(=O)NCCC(C)=O
InChIInChI=1S/C8H14N2O4/c1-6(11)3-4-9-8(13)10-5-7(12)14-2/h3-5H2,1-2H3,(H2,9,10,13)
InChIKeyIBJVVINEQOTUCI-UHFFFAOYSA-N
XLogP-0.56
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-oxobutylcarbamoylamino)ethyl]acetamide
CID 108895197
methyl 2-(methoxymethylcarbamoylamino)acetate
CID 108893664
3-[(2-ethoxy-2-oxoethyl)carbamoylamino]propanoic acid
CID 14949744
methyl 2-[3-(ethoxycarbonylamino)propanoylamino]acetate
CID 71941881
1-(3-butoxypropyl)-3-(3-oxobutyl)urea
CID 108894998
methyl 3-(3-oxobutanoylamino)propanoate
CID 61249216
4-[(3-methoxy-3-oxopropyl)carbamoylamino]butanoic acid
CID 61300129
methyl 2-(2-phenoxyethylcarbamoylamino)acetate
CID 108887152
methyl 2-(methoxycarbonylamino)acetate
CID 14133519
methyl 4-oxopentanoate;propan-2-one
CID 102601184
methane;methyl 4-oxopentanoate
CID 157451764
methyl 2-[[6-[(2-methoxy-2-oxoethyl)amino]-6-oxohexanoyl]amino]acetate
CID 3243567

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-oxobutylcarbamoylamino)acetate?
The IUPAC name of methyl 2-(3-oxobutylcarbamoylamino)acetate (CID 108895259) is methyl 2-(3-oxobutylcarbamoylamino)acetate.
What is the SMILES notation for methyl 2-(3-oxobutylcarbamoylamino)acetate?
The canonical SMILES for methyl 2-(3-oxobutylcarbamoylamino)acetate is COC(=O)CNC(=O)NCCC(C)=O.
What is the InChIKey of methyl 2-(3-oxobutylcarbamoylamino)acetate?
The InChIKey is IBJVVINEQOTUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4/c1-6(11)3-4-9-8(13)10-5-7(12)14-2/h3-5H2,1-2H3,(H2,9,10,13).
What are the key properties of methyl 2-(3-oxobutylcarbamoylamino)acetate?
methyl 2-(3-oxobutylcarbamoylamino)acetate has a molecular weight of 202.21 g/mol, XLogP of -0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-oxobutylcarbamoylamino)acetate is sourced from PubChem (CID 108895259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).