methyl 2-amino-3-hydroxy-2-(hydroxymethyl)propanoate

C5H11NO4 — CID 130045532

IUPACmethyl 2-amino-3-hydroxy-2-(hydroxymethyl)propanoate
SMILESCOC(=O)C(N)(CO)CO
InChIInChI=1S/C5H11NO4/c1-10-4(9)5(6,2-7)3-8/h7-8H,2-3,6H2,1H3
InChIKeyAIIRPYLDRNUKEW-UHFFFAOYSA-N
MW149.15 g/mol
LogP-2.16
Rot. Bonds3

About methyl 2-amino-3-hydroxy-2-(hydroxymethyl)propanoate

methyl 2-amino-3-hydroxy-2-(hydroxymethyl)propanoate (PubChem CID 130045532) has the molecular formula C5H11NO4 and a molecular weight of 149.15 g/mol. Its IUPAC name is methyl 2-amino-3-hydroxy-2-(hydroxymethyl)propanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-hydroxy-2-(hydroxymethyl)propanoate
PubChem CID130045532
Molecular FormulaC5H11NO4
Molecular Weight149.15 g/mol
Exact Mass149.07
IUPAC Namemethyl 2-amino-3-hydroxy-2-(hydroxymethyl)propanoate
SMILESCOC(=O)C(N)(CO)CO
InChIInChI=1S/C5H11NO4/c1-10-4(9)5(6,2-7)3-8/h7-8H,2-3,6H2,1H3
InChIKeyAIIRPYLDRNUKEW-UHFFFAOYSA-N
XLogP-2.16
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 5-2.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-hydroxy-2-(hydroxymethyl)propanoate?
The IUPAC name of methyl 2-amino-3-hydroxy-2-(hydroxymethyl)propanoate (CID 130045532) is methyl 2-amino-3-hydroxy-2-(hydroxymethyl)propanoate.
What is the SMILES notation for methyl 2-amino-3-hydroxy-2-(hydroxymethyl)propanoate?
The canonical SMILES for methyl 2-amino-3-hydroxy-2-(hydroxymethyl)propanoate is COC(=O)C(N)(CO)CO.
What is the InChIKey of methyl 2-amino-3-hydroxy-2-(hydroxymethyl)propanoate?
The InChIKey is AIIRPYLDRNUKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO4/c1-10-4(9)5(6,2-7)3-8/h7-8H,2-3,6H2,1H3.
What are the key properties of methyl 2-amino-3-hydroxy-2-(hydroxymethyl)propanoate?
methyl 2-amino-3-hydroxy-2-(hydroxymethyl)propanoate has a molecular weight of 149.15 g/mol, XLogP of -2.16, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-hydroxy-2-(hydroxymethyl)propanoate is sourced from PubChem (CID 130045532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).