3-amino-2-hydroxypropanoic acid;methyl 3-amino-2-hydroxypropanoate

C7H16N2O6 — CID 156849081

IUPAC3-amino-2-hydroxypropanoic acid;methyl 3-amino-2-hydroxypropanoate
SMILESCOC(=O)C(O)CN.NCC(O)C(=O)O
InChIInChI=1S/C4H9NO3.C3H7NO3/c1-8-4(7)3(6)2-5;4-1-2(5)3(6)7/h3,6H,2,5H2,1H3;2,5H,1,4H2,(H,6,7)
InChIKeyDNKQMWPGVBMSHH-UHFFFAOYSA-N
MW224.21 g/mol
LogP-3.13
Rot. Bonds4

About 3-amino-2-hydroxypropanoic acid;methyl 3-amino-2-hydroxypropanoate

3-amino-2-hydroxypropanoic acid;methyl 3-amino-2-hydroxypropanoate (PubChem CID 156849081) has the molecular formula C7H16N2O6 and a molecular weight of 224.21 g/mol. Its IUPAC name is 3-amino-2-hydroxypropanoic acid;methyl 3-amino-2-hydroxypropanoate.

Molecular Properties

Compound Name3-amino-2-hydroxypropanoic acid;methyl 3-amino-2-hydroxypropanoate
PubChem CID156849081
Molecular FormulaC7H16N2O6
Molecular Weight224.21 g/mol
Exact Mass224.10
IUPAC Name3-amino-2-hydroxypropanoic acid;methyl 3-amino-2-hydroxypropanoate
SMILESCOC(=O)C(O)CN.NCC(O)C(=O)O
InChIInChI=1S/C4H9NO3.C3H7NO3/c1-8-4(7)3(6)2-5;4-1-2(5)3(6)7/h3,6H,2,5H2,1H3;2,5H,1,4H2,(H,6,7)
InChIKeyDNKQMWPGVBMSHH-UHFFFAOYSA-N
XLogP-3.13
TPSA156.10 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 5-3.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-hydroxypropanoic acid;methyl 3-amino-2-hydroxypropanoate?
The IUPAC name of 3-amino-2-hydroxypropanoic acid;methyl 3-amino-2-hydroxypropanoate (CID 156849081) is 3-amino-2-hydroxypropanoic acid;methyl 3-amino-2-hydroxypropanoate.
What is the SMILES notation for 3-amino-2-hydroxypropanoic acid;methyl 3-amino-2-hydroxypropanoate?
The canonical SMILES for 3-amino-2-hydroxypropanoic acid;methyl 3-amino-2-hydroxypropanoate is COC(=O)C(O)CN.NCC(O)C(=O)O.
What is the InChIKey of 3-amino-2-hydroxypropanoic acid;methyl 3-amino-2-hydroxypropanoate?
The InChIKey is DNKQMWPGVBMSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3.C3H7NO3/c1-8-4(7)3(6)2-5;4-1-2(5)3(6)7/h3,6H,2,5H2,1H3;2,5H,1,4H2,(H,6,7).
What are the key properties of 3-amino-2-hydroxypropanoic acid;methyl 3-amino-2-hydroxypropanoate?
3-amino-2-hydroxypropanoic acid;methyl 3-amino-2-hydroxypropanoate has a molecular weight of 224.21 g/mol, XLogP of -3.13, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-hydroxypropanoic acid;methyl 3-amino-2-hydroxypropanoate is sourced from PubChem (CID 156849081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).