ethyl 2-acetyloxy-2-(2-oxopropylamino)acetate

C9H15NO5 — CID 71325705

IUPACethyl 2-acetyloxy-2-(2-oxopropylamino)acetate
SMILESCCOC(=O)C(NCC(C)=O)OC(C)=O
InChIInChI=1S/C9H15NO5/c1-4-14-9(13)8(15-7(3)12)10-5-6(2)11/h8,10H,4-5H2,1-3H3
InChIKeyGNLFRGIGJPPEAN-UHFFFAOYSA-N
MW217.22 g/mol
LogP-0.38
Rot. Bonds6

About ethyl 2-acetyloxy-2-(2-oxopropylamino)acetate

ethyl 2-acetyloxy-2-(2-oxopropylamino)acetate (PubChem CID 71325705) has the molecular formula C9H15NO5 and a molecular weight of 217.22 g/mol. Its IUPAC name is ethyl 2-acetyloxy-2-(2-oxopropylamino)acetate.

Molecular Properties

Compound Nameethyl 2-acetyloxy-2-(2-oxopropylamino)acetate
PubChem CID71325705
Molecular FormulaC9H15NO5
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC Nameethyl 2-acetyloxy-2-(2-oxopropylamino)acetate
SMILESCCOC(=O)C(NCC(C)=O)OC(C)=O
InChIInChI=1S/C9H15NO5/c1-4-14-9(13)8(15-7(3)12)10-5-6(2)11/h8,10H,4-5H2,1-3H3
InChIKeyGNLFRGIGJPPEAN-UHFFFAOYSA-N
XLogP-0.38
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-amino-2-(2-oxopropylamino)propanoate;oxamide
CID 23499498
ethyl 2-acetyloxy-3-hydroxypropanoate
CID 88644525
ethyl (2R)-4-acetyloxy-2-[(2-ethoxy-2-oxoethyl)amino]butanoate
CID 87760013
1-aminobutyl acetate
CID 22643639
ethyl (2R,3R)-2-acetyloxy-3-chlorohexanoate
CID 102062756
diethyl (2R,3R)-2-acetyloxy-3-bromobutanedioate
CID 71299204
(313C)heptan-4-yl acetate
CID 117065532
[(2S)-1-ethoxy-1-oxopropan-2-yl] 3-oxobutanoate
CID 12529181
ethyl 3-acetyloxy-2-bromobutanoate
CID 12541078
ethyl acetate;tris(2-methylpentane)
CID 173095703
ethyl 3-acetyloxy-2-azidohexanoate
CID 12541115
bis(butan-2-one);ethyl acetate
CID 162133586

Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetyloxy-2-(2-oxopropylamino)acetate?
The IUPAC name of ethyl 2-acetyloxy-2-(2-oxopropylamino)acetate (CID 71325705) is ethyl 2-acetyloxy-2-(2-oxopropylamino)acetate.
What is the SMILES notation for ethyl 2-acetyloxy-2-(2-oxopropylamino)acetate?
The canonical SMILES for ethyl 2-acetyloxy-2-(2-oxopropylamino)acetate is CCOC(=O)C(NCC(C)=O)OC(C)=O.
What is the InChIKey of ethyl 2-acetyloxy-2-(2-oxopropylamino)acetate?
The InChIKey is GNLFRGIGJPPEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO5/c1-4-14-9(13)8(15-7(3)12)10-5-6(2)11/h8,10H,4-5H2,1-3H3.
What are the key properties of ethyl 2-acetyloxy-2-(2-oxopropylamino)acetate?
ethyl 2-acetyloxy-2-(2-oxopropylamino)acetate has a molecular weight of 217.22 g/mol, XLogP of -0.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-acetyloxy-2-(2-oxopropylamino)acetate is sourced from PubChem (CID 71325705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).