methyl 2-aminoacetate;methyl 4-aminobutanoate

C8H18N2O4 — CID 174722954

IUPACmethyl 2-aminoacetate;methyl 4-aminobutanoate
SMILESCOC(=O)CCCN.COC(=O)CN
InChIInChI=1S/C5H11NO2.C3H7NO2/c1-8-5(7)3-2-4-6;1-6-3(5)2-4/h2-4,6H2,1H3;2,4H2,1H3
InChIKeyDFMLQVZXXOZTER-UHFFFAOYSA-N
MW206.24 g/mol
LogP-0.98
Rot. Bonds4

About methyl 2-aminoacetate;methyl 4-aminobutanoate

methyl 2-aminoacetate;methyl 4-aminobutanoate (PubChem CID 174722954) has the molecular formula C8H18N2O4 and a molecular weight of 206.24 g/mol. Its IUPAC name is methyl 2-aminoacetate;methyl 4-aminobutanoate.

Molecular Properties

Compound Namemethyl 2-aminoacetate;methyl 4-aminobutanoate
PubChem CID174722954
Molecular FormulaC8H18N2O4
Molecular Weight206.24 g/mol
Exact Mass206.13
IUPAC Namemethyl 2-aminoacetate;methyl 4-aminobutanoate
SMILESCOC(=O)CCCN.COC(=O)CN
InChIInChI=1S/C5H11NO2.C3H7NO2/c1-8-5(7)3-2-4-6;1-6-3(5)2-4/h2-4,6H2,1H3;2,4H2,1H3
InChIKeyDFMLQVZXXOZTER-UHFFFAOYSA-N
XLogP-0.98
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-aminoacetate;methyl 4-aminobutanoate?
The IUPAC name of methyl 2-aminoacetate;methyl 4-aminobutanoate (CID 174722954) is methyl 2-aminoacetate;methyl 4-aminobutanoate.
What is the SMILES notation for methyl 2-aminoacetate;methyl 4-aminobutanoate?
The canonical SMILES for methyl 2-aminoacetate;methyl 4-aminobutanoate is COC(=O)CCCN.COC(=O)CN.
What is the InChIKey of methyl 2-aminoacetate;methyl 4-aminobutanoate?
The InChIKey is DFMLQVZXXOZTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2.C3H7NO2/c1-8-5(7)3-2-4-6;1-6-3(5)2-4/h2-4,6H2,1H3;2,4H2,1H3.
What are the key properties of methyl 2-aminoacetate;methyl 4-aminobutanoate?
methyl 2-aminoacetate;methyl 4-aminobutanoate has a molecular weight of 206.24 g/mol, XLogP of -0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-aminoacetate;methyl 4-aminobutanoate is sourced from PubChem (CID 174722954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).