methoxymethyl 3-[(2S)-2-aminopropanoyl]oxy-2,2-dimethylpropanoate

C10H19NO5 — CID 129022149

IUPACmethoxymethyl 3-[(2S)-2-aminopropanoyl]oxy-2,2-dimethylpropanoate
SMILESCOCOC(=O)C(C)(C)COC(=O)[C@H](C)N
InChIInChI=1S/C10H19NO5/c1-7(11)8(12)15-5-10(2,3)9(13)16-6-14-4/h7H,5-6,11H2,1-4H3/t7-/m0/s1
InChIKeyPKJSXPZKDDEQKP-ZETCQYMHSA-N
MW233.26 g/mol
LogP0.05
Rot. Bonds6

About methoxymethyl 3-[(2S)-2-aminopropanoyl]oxy-2,2-dimethylpropanoate

methoxymethyl 3-[(2S)-2-aminopropanoyl]oxy-2,2-dimethylpropanoate (PubChem CID 129022149) has the molecular formula C10H19NO5 and a molecular weight of 233.26 g/mol. Its IUPAC name is methoxymethyl 3-[(2S)-2-aminopropanoyl]oxy-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethoxymethyl 3-[(2S)-2-aminopropanoyl]oxy-2,2-dimethylpropanoate
PubChem CID129022149
Molecular FormulaC10H19NO5
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC Namemethoxymethyl 3-[(2S)-2-aminopropanoyl]oxy-2,2-dimethylpropanoate
SMILESCOCOC(=O)C(C)(C)COC(=O)[C@H](C)N
InChIInChI=1S/C10H19NO5/c1-7(11)8(12)15-5-10(2,3)9(13)16-6-14-4/h7H,5-6,11H2,1-4H3/t7-/m0/s1
InChIKeyPKJSXPZKDDEQKP-ZETCQYMHSA-N
XLogP0.05
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 50.05
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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Frequently Asked Questions

What is the IUPAC name of methoxymethyl 3-[(2S)-2-aminopropanoyl]oxy-2,2-dimethylpropanoate?
The IUPAC name of methoxymethyl 3-[(2S)-2-aminopropanoyl]oxy-2,2-dimethylpropanoate (CID 129022149) is methoxymethyl 3-[(2S)-2-aminopropanoyl]oxy-2,2-dimethylpropanoate.
What is the SMILES notation for methoxymethyl 3-[(2S)-2-aminopropanoyl]oxy-2,2-dimethylpropanoate?
The canonical SMILES for methoxymethyl 3-[(2S)-2-aminopropanoyl]oxy-2,2-dimethylpropanoate is COCOC(=O)C(C)(C)COC(=O)[C@H](C)N.
What is the InChIKey of methoxymethyl 3-[(2S)-2-aminopropanoyl]oxy-2,2-dimethylpropanoate?
The InChIKey is PKJSXPZKDDEQKP-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H19NO5/c1-7(11)8(12)15-5-10(2,3)9(13)16-6-14-4/h7H,5-6,11H2,1-4H3/t7-/m0/s1.
What are the key properties of methoxymethyl 3-[(2S)-2-aminopropanoyl]oxy-2,2-dimethylpropanoate?
methoxymethyl 3-[(2S)-2-aminopropanoyl]oxy-2,2-dimethylpropanoate has a molecular weight of 233.26 g/mol, XLogP of 0.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethyl 3-[(2S)-2-aminopropanoyl]oxy-2,2-dimethylpropanoate is sourced from PubChem (CID 129022149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).