2-methoxyethyl (2R)-1-[(2R)-1-methoxy-1-oxopropan-2-yl]aziridin-1-ium-2-carboxylate

C10H18NO5+ — CID 11905640

IUPAC2-methoxyethyl (2R)-1-[(2R)-1-methoxy-1-oxopropan-2-yl]aziridin-1-ium-2-carboxylate
SMILESCOCCOC(=O)[C@H]1C[NH+]1[C@H](C)C(=O)OC
InChIInChI=1S/C10H17NO5/c1-7(9(12)15-3)11-6-8(11)10(13)16-5-4-14-2/h7-8H,4-6H2,1-3H3/p+1/t7-,8-,11?/m1/s1
InChIKeyWCTPTWXEZZFTIO-KQUALDNSSA-O
MW232.26 g/mol
LogP-2.00
Rot. Bonds6

About 2-methoxyethyl (2R)-1-[(2R)-1-methoxy-1-oxopropan-2-yl]aziridin-1-ium-2-carboxylate

2-methoxyethyl (2R)-1-[(2R)-1-methoxy-1-oxopropan-2-yl]aziridin-1-ium-2-carboxylate (PubChem CID 11905640) has the molecular formula C10H18NO5+ and a molecular weight of 232.26 g/mol. Its IUPAC name is 2-methoxyethyl (2R)-1-[(2R)-1-methoxy-1-oxopropan-2-yl]aziridin-1-ium-2-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl (2R)-1-[(2R)-1-methoxy-1-oxopropan-2-yl]aziridin-1-ium-2-carboxylate
PubChem CID11905640
Molecular FormulaC10H18NO5+
Molecular Weight232.26 g/mol
Exact Mass232.12
IUPAC Name2-methoxyethyl (2R)-1-[(2R)-1-methoxy-1-oxopropan-2-yl]aziridin-1-ium-2-carboxylate
SMILESCOCCOC(=O)[C@H]1C[NH+]1[C@H](C)C(=O)OC
InChIInChI=1S/C10H17NO5/c1-7(9(12)15-3)11-6-8(11)10(13)16-5-4-14-2/h7-8H,4-6H2,1-3H3/p+1/t7-,8-,11?/m1/s1
InChIKeyWCTPTWXEZZFTIO-KQUALDNSSA-O
XLogP-2.00
TPSA66.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 5-2.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-methoxyethyl (2R)-1-[(2R)-1-methoxy-1-oxopropan-2-yl]aziridin-1-ium-2-carboxylate with MolForge

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Related Compounds

hexyl (2S)-1-[(2S)-1-methoxy-1-oxobutan-2-yl]aziridin-1-ium-2-carboxylate
CID 7456741
butyl (2S)-1-[(2S)-1-ethoxy-1-oxobutan-2-yl]aziridin-1-ium-2-carboxylate
CID 7457990
1-O-[2-[di(propan-2-yl)amino]ethyl] 4-O-(2-methoxyethyl) cyclohexane-1,4-dicarboxylate
CID 164933282
2-methoxyethyl (2S)-5-oxopyrrolidine-2-carboxylate
CID 156790382
methyl 4-methoxy-2-(propan-2-ylamino)butanoate
CID 63038753
methyl 2-(ethylamino)-4-methoxybutanoate
CID 63041387
2-[2-(2-methoxyethoxy)ethoxy]ethyl cyclobutanecarboxylate
CID 10192770
2-(2-methoxyethoxy)ethyl 4-(aminomethyl)cyclohexane-1-carboxylate
CID 104563304
2-methoxyethyl (Z)-2,5-dimethylhex-3-enoate
CID 88559833
methyl 2-chloro-2-cyclopropylacetate
CID 15659586
2-methoxyethyl (1S)-4-methylcyclopent-2-ene-1-carboxylate
CID 163379852
methyl 3-methoxy-2-(oxan-4-yl)propanoate
CID 117239855

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl (2R)-1-[(2R)-1-methoxy-1-oxopropan-2-yl]aziridin-1-ium-2-carboxylate?
The IUPAC name of 2-methoxyethyl (2R)-1-[(2R)-1-methoxy-1-oxopropan-2-yl]aziridin-1-ium-2-carboxylate (CID 11905640) is 2-methoxyethyl (2R)-1-[(2R)-1-methoxy-1-oxopropan-2-yl]aziridin-1-ium-2-carboxylate.
What is the SMILES notation for 2-methoxyethyl (2R)-1-[(2R)-1-methoxy-1-oxopropan-2-yl]aziridin-1-ium-2-carboxylate?
The canonical SMILES for 2-methoxyethyl (2R)-1-[(2R)-1-methoxy-1-oxopropan-2-yl]aziridin-1-ium-2-carboxylate is COCCOC(=O)[C@H]1C[NH+]1[C@H](C)C(=O)OC.
What is the InChIKey of 2-methoxyethyl (2R)-1-[(2R)-1-methoxy-1-oxopropan-2-yl]aziridin-1-ium-2-carboxylate?
The InChIKey is WCTPTWXEZZFTIO-KQUALDNSSA-O. The full InChI is InChI=1S/C10H17NO5/c1-7(9(12)15-3)11-6-8(11)10(13)16-5-4-14-2/h7-8H,4-6H2,1-3H3/p+1/t7-,8-,11?/m1/s1.
What are the key properties of 2-methoxyethyl (2R)-1-[(2R)-1-methoxy-1-oxopropan-2-yl]aziridin-1-ium-2-carboxylate?
2-methoxyethyl (2R)-1-[(2R)-1-methoxy-1-oxopropan-2-yl]aziridin-1-ium-2-carboxylate has a molecular weight of 232.26 g/mol, XLogP of -2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl (2R)-1-[(2R)-1-methoxy-1-oxopropan-2-yl]aziridin-1-ium-2-carboxylate is sourced from PubChem (CID 11905640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).