methyl 2-amino-2,2-dihydroxyacetate

C3H7NO4 — CID 123538749

IUPACmethyl 2-amino-2,2-dihydroxyacetate
SMILESCOC(=O)C(N)(O)O
InChIInChI=1S/C3H7NO4/c1-8-2(5)3(4,6)7/h6-7H,4H2,1H3
InChIKeyFNKUEPXBPUNCNK-UHFFFAOYSA-N
MW121.09 g/mol
LogP-2.24
Rot. Bonds1

About methyl 2-amino-2,2-dihydroxyacetate

methyl 2-amino-2,2-dihydroxyacetate (PubChem CID 123538749) has the molecular formula C3H7NO4 and a molecular weight of 121.09 g/mol. Its IUPAC name is methyl 2-amino-2,2-dihydroxyacetate.

Molecular Properties

Compound Namemethyl 2-amino-2,2-dihydroxyacetate
PubChem CID123538749
Molecular FormulaC3H7NO4
Molecular Weight121.09 g/mol
Exact Mass121.04
IUPAC Namemethyl 2-amino-2,2-dihydroxyacetate
SMILESCOC(=O)C(N)(O)O
InChIInChI=1S/C3H7NO4/c1-8-2(5)3(4,6)7/h6-7H,4H2,1H3
InChIKeyFNKUEPXBPUNCNK-UHFFFAOYSA-N
XLogP-2.24
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.09
LogP ≤ 5-2.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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methyl 2,5-diamino-2-hydroxypentanoate
CID 139916630
methyl (2R)-2,3-diamino-2-methyl-3-oxopropanoate
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methyl 2-amino-2-ethylpentanoate
CID 88885307
methyl 2-amino-2-butylhexanoate;hydrochloride
CID 162216697
methyl 2-amino-2-methylselanylpropanoate
CID 141138215
methyl (2R)-2,3-diamino-2-methyl-3-oxopropanoate;hydrochloride
CID 87710370
methyl (2R)-2-amino-2-isocyano-3-methylbutanoate
CID 21337399
methyl (2R)-2-amino-3-methoxy-2-methylpropanoate
CID 45086680

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2,2-dihydroxyacetate?
The IUPAC name of methyl 2-amino-2,2-dihydroxyacetate (CID 123538749) is methyl 2-amino-2,2-dihydroxyacetate.
What is the SMILES notation for methyl 2-amino-2,2-dihydroxyacetate?
The canonical SMILES for methyl 2-amino-2,2-dihydroxyacetate is COC(=O)C(N)(O)O.
What is the InChIKey of methyl 2-amino-2,2-dihydroxyacetate?
The InChIKey is FNKUEPXBPUNCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO4/c1-8-2(5)3(4,6)7/h6-7H,4H2,1H3.
What are the key properties of methyl 2-amino-2,2-dihydroxyacetate?
methyl 2-amino-2,2-dihydroxyacetate has a molecular weight of 121.09 g/mol, XLogP of -2.24, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2,2-dihydroxyacetate is sourced from PubChem (CID 123538749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).