ethyl 2-[acetyl(acetyloxy)amino]propanoate

C9H15NO5 — CID 23161671

IUPACethyl 2-[acetyl(acetyloxy)amino]propanoate
SMILESCCOC(=O)C(C)N(OC(C)=O)C(C)=O
InChIInChI=1S/C9H15NO5/c1-5-14-9(13)6(2)10(7(3)11)15-8(4)12/h6H,5H2,1-4H3
InChIKeyNRMBVEICHNJPAP-UHFFFAOYSA-N
MW217.22 g/mol
LogP0.26
Rot. Bonds3

About ethyl 2-[acetyl(acetyloxy)amino]propanoate

ethyl 2-[acetyl(acetyloxy)amino]propanoate (PubChem CID 23161671) has the molecular formula C9H15NO5 and a molecular weight of 217.22 g/mol. Its IUPAC name is ethyl 2-[acetyl(acetyloxy)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[acetyl(acetyloxy)amino]propanoate
PubChem CID23161671
Molecular FormulaC9H15NO5
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC Nameethyl 2-[acetyl(acetyloxy)amino]propanoate
SMILESCCOC(=O)C(C)N(OC(C)=O)C(C)=O
InChIInChI=1S/C9H15NO5/c1-5-14-9(13)6(2)10(7(3)11)15-8(4)12/h6H,5H2,1-4H3
InChIKeyNRMBVEICHNJPAP-UHFFFAOYSA-N
XLogP0.26
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl (2S)-2-[2-[bis[(2R)-1-ethoxy-1-oxopropan-2-yl]amino]ethyl-[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]propanoate
CID 15468522
ethyl acetate;bis(propan-2-ol)
CID 87186921
tert-butyl 2-[acetyl(acetyloxy)amino]pentanoate
CID 23161677
ethyl 2-[carbonochloridoyl(methyl)amino]propanoate
CID 134323297
ethyl acetate;propan-2-ol;hydrate
CID 22041847
[(2R)-1-ethoxy-1-oxopropan-2-yl]azanium
CID 6932860
ethyl 2-[ethoxycarbonyl(propan-2-yl)amino]propanoate
CID 175194791
bis(butan-2-ol);ethyl acetate
CID 139558654
acetic acid;ethyl acetate;propan-2-ol
CID 23298224
ethyl (2R)-2-[3-hydroxypropanoyl(methyl)amino]propanoate
CID 168971565
ethyl 2-acetyl-3-oxobutanoate;bis(propan-2-ol);titanium
CID 159659073
ethyl acetate;tris(2-methylpentane)
CID 173095703

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[acetyl(acetyloxy)amino]propanoate?
The IUPAC name of ethyl 2-[acetyl(acetyloxy)amino]propanoate (CID 23161671) is ethyl 2-[acetyl(acetyloxy)amino]propanoate.
What is the SMILES notation for ethyl 2-[acetyl(acetyloxy)amino]propanoate?
The canonical SMILES for ethyl 2-[acetyl(acetyloxy)amino]propanoate is CCOC(=O)C(C)N(OC(C)=O)C(C)=O.
What is the InChIKey of ethyl 2-[acetyl(acetyloxy)amino]propanoate?
The InChIKey is NRMBVEICHNJPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO5/c1-5-14-9(13)6(2)10(7(3)11)15-8(4)12/h6H,5H2,1-4H3.
What are the key properties of ethyl 2-[acetyl(acetyloxy)amino]propanoate?
ethyl 2-[acetyl(acetyloxy)amino]propanoate has a molecular weight of 217.22 g/mol, XLogP of 0.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[acetyl(acetyloxy)amino]propanoate is sourced from PubChem (CID 23161671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).