ethyl 2-[(3-methyl-2-oxobutanoyl)amino]acetate

C9H15NO4 — CID 157113144

IUPACethyl 2-[(3-methyl-2-oxobutanoyl)amino]acetate
SMILESCCOC(=O)CNC(=O)C(=O)C(C)C
InChIInChI=1S/C9H15NO4/c1-4-14-7(11)5-10-9(13)8(12)6(2)3/h6H,4-5H2,1-3H3,(H,10,13)
InChIKeyAHBVTGQYUONKRG-UHFFFAOYSA-N
MW201.22 g/mol
LogP-0.11
Rot. Bonds5

About ethyl 2-[(3-methyl-2-oxobutanoyl)amino]acetate

ethyl 2-[(3-methyl-2-oxobutanoyl)amino]acetate (PubChem CID 157113144) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is ethyl 2-[(3-methyl-2-oxobutanoyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-methyl-2-oxobutanoyl)amino]acetate
PubChem CID157113144
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Nameethyl 2-[(3-methyl-2-oxobutanoyl)amino]acetate
SMILESCCOC(=O)CNC(=O)C(=O)C(C)C
InChIInChI=1S/C9H15NO4/c1-4-14-7(11)5-10-9(13)8(12)6(2)3/h6H,4-5H2,1-3H3,(H,10,13)
InChIKeyAHBVTGQYUONKRG-UHFFFAOYSA-N
XLogP-0.11
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(2-ethoxy-2-oxoethyl)carbamic acid
CID 18800943
ethyl 2-[[(E)-2-acetyl-4-methylpent-2-enoyl]amino]acetate
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ethyl 2-(carbamoyl(15N)amino)acetate
CID 46781708
(2-ethoxy-2-oxoethyl)carbamothioic S-acid
CID 123218548
ethyl 2-[(2,2-difluoroacetyl)amino]acetate
CID 103514329
ethyl 2-[[methyl(propan-2-yl)carbamoyl]amino]acetate
CID 43445755
ethyl 2-(2-methylsulfonylpropanoylamino)acetate
CID 115589392
ethyl 2-[[(2S)-2-(carbamoylamino)propanoyl]amino]acetate
CID 101162412
ethyl 2-(2,3-dimethylbutylcarbamoylamino)acetate
CID 64597443
ethyl 2-oxo-2-(propan-2-ylamino)acetate
CID 5001766
ethyl 2-(1-chloroethylamino)acetate
CID 123739956
ethyl 2-(2-ethoxypropylcarbamoylamino)acetate
CID 115664872

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-methyl-2-oxobutanoyl)amino]acetate?
The IUPAC name of ethyl 2-[(3-methyl-2-oxobutanoyl)amino]acetate (CID 157113144) is ethyl 2-[(3-methyl-2-oxobutanoyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(3-methyl-2-oxobutanoyl)amino]acetate?
The canonical SMILES for ethyl 2-[(3-methyl-2-oxobutanoyl)amino]acetate is CCOC(=O)CNC(=O)C(=O)C(C)C.
What is the InChIKey of ethyl 2-[(3-methyl-2-oxobutanoyl)amino]acetate?
The InChIKey is AHBVTGQYUONKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-4-14-7(11)5-10-9(13)8(12)6(2)3/h6H,4-5H2,1-3H3,(H,10,13).
What are the key properties of ethyl 2-[(3-methyl-2-oxobutanoyl)amino]acetate?
ethyl 2-[(3-methyl-2-oxobutanoyl)amino]acetate has a molecular weight of 201.22 g/mol, XLogP of -0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-methyl-2-oxobutanoyl)amino]acetate is sourced from PubChem (CID 157113144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).