[1-(1-ethenoxy-1-oxopropan-2-yl)oxy-1-oxopropan-2-yl] (2R)-2-aminopropanoate

C11H17NO6 — CID 163510228

IUPAC[1-(1-ethenoxy-1-oxopropan-2-yl)oxy-1-oxopropan-2-yl] (2R)-2-aminopropanoate
SMILESC=COC(=O)C(C)OC(=O)C(C)OC(=O)[C@@H](C)N
InChIInChI=1S/C11H17NO6/c1-5-16-10(14)7(3)18-11(15)8(4)17-9(13)6(2)12/h5-8H,1,12H2,2-4H3/t6-,7?,8?/m1/s1
InChIKeyDCCCNKAXXRAYRT-JECWYVHBSA-N
MW259.26 g/mol
LogP-0.12
Rot. Bonds6

About [1-(1-ethenoxy-1-oxopropan-2-yl)oxy-1-oxopropan-2-yl] (2R)-2-aminopropanoate

[1-(1-ethenoxy-1-oxopropan-2-yl)oxy-1-oxopropan-2-yl] (2R)-2-aminopropanoate (PubChem CID 163510228) has the molecular formula C11H17NO6 and a molecular weight of 259.26 g/mol. Its IUPAC name is [1-(1-ethenoxy-1-oxopropan-2-yl)oxy-1-oxopropan-2-yl] (2R)-2-aminopropanoate.

Molecular Properties

Compound Name[1-(1-ethenoxy-1-oxopropan-2-yl)oxy-1-oxopropan-2-yl] (2R)-2-aminopropanoate
PubChem CID163510228
Molecular FormulaC11H17NO6
Molecular Weight259.26 g/mol
Exact Mass259.11
IUPAC Name[1-(1-ethenoxy-1-oxopropan-2-yl)oxy-1-oxopropan-2-yl] (2R)-2-aminopropanoate
SMILESC=COC(=O)C(C)OC(=O)C(C)OC(=O)[C@@H](C)N
InChIInChI=1S/C11H17NO6/c1-5-16-10(14)7(3)18-11(15)8(4)17-9(13)6(2)12/h5-8H,1,12H2,2-4H3/t6-,7?,8?/m1/s1
InChIKeyDCCCNKAXXRAYRT-JECWYVHBSA-N
XLogP-0.12
TPSA104.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

ethenyl 2-aminopropanoate
CID 23374910
ethenyl 2,2-diacetyloxyacetate
CID 88828479
3-ethenoxy-2-methyl-3-oxopropanoic acid
CID 139933111
ethenyl (2S)-2-amino-4-methylpentanoate
CID 57471579
[(2S)-1-oxo-1-prop-2-enoxypropan-2-yl] 2-methylpropanoate
CID 153317793
ethenyl 4-hydroxy-2-methylbutanoate
CID 174580533
propan-2-yl 2-aminopropanoate
CID 11804791
propan-2-yl (2S)-2-aminopropanoate
CID 13089460
2-[2-(2-ethenoxycarbonyloxypropanoyloxy)ethoxy]ethyl 2-ethenoxycarbonyloxypropanoate
CID 59601723
prop-2-enyl 2-aminopropanoate
CID 91515395
ethenyl 1-fluoroethyl carbonate
CID 90239988
ethenyl 2,2-dihydroxyacetate
CID 172859398

Frequently Asked Questions

What is the IUPAC name of [1-(1-ethenoxy-1-oxopropan-2-yl)oxy-1-oxopropan-2-yl] (2R)-2-aminopropanoate?
The IUPAC name of [1-(1-ethenoxy-1-oxopropan-2-yl)oxy-1-oxopropan-2-yl] (2R)-2-aminopropanoate (CID 163510228) is [1-(1-ethenoxy-1-oxopropan-2-yl)oxy-1-oxopropan-2-yl] (2R)-2-aminopropanoate.
What is the SMILES notation for [1-(1-ethenoxy-1-oxopropan-2-yl)oxy-1-oxopropan-2-yl] (2R)-2-aminopropanoate?
The canonical SMILES for [1-(1-ethenoxy-1-oxopropan-2-yl)oxy-1-oxopropan-2-yl] (2R)-2-aminopropanoate is C=COC(=O)C(C)OC(=O)C(C)OC(=O)[C@@H](C)N.
What is the InChIKey of [1-(1-ethenoxy-1-oxopropan-2-yl)oxy-1-oxopropan-2-yl] (2R)-2-aminopropanoate?
The InChIKey is DCCCNKAXXRAYRT-JECWYVHBSA-N. The full InChI is InChI=1S/C11H17NO6/c1-5-16-10(14)7(3)18-11(15)8(4)17-9(13)6(2)12/h5-8H,1,12H2,2-4H3/t6-,7?,8?/m1/s1.
What are the key properties of [1-(1-ethenoxy-1-oxopropan-2-yl)oxy-1-oxopropan-2-yl] (2R)-2-aminopropanoate?
[1-(1-ethenoxy-1-oxopropan-2-yl)oxy-1-oxopropan-2-yl] (2R)-2-aminopropanoate has a molecular weight of 259.26 g/mol, XLogP of -0.12, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-ethenoxy-1-oxopropan-2-yl)oxy-1-oxopropan-2-yl] (2R)-2-aminopropanoate is sourced from PubChem (CID 163510228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).