acetic acid;3-amino-2-hydroxypropanoic acid

C7H15NO7 — CID 22281162

IUPACacetic acid;3-amino-2-hydroxypropanoic acid
SMILESCC(=O)O.CC(=O)O.NCC(O)C(=O)O
InChIInChI=1S/C3H7NO3.2C2H4O2/c4-1-2(5)3(6)7;2*1-2(3)4/h2,5H,1,4H2,(H,6,7);2*1H3,(H,3,4)
InChIKeyTUASJIPHKWFAEE-UHFFFAOYSA-N
MW225.20 g/mol
LogP-1.43
Rot. Bonds2

About acetic acid;3-amino-2-hydroxypropanoic acid

acetic acid;3-amino-2-hydroxypropanoic acid (PubChem CID 22281162) has the molecular formula C7H15NO7 and a molecular weight of 225.20 g/mol. Its IUPAC name is acetic acid;3-amino-2-hydroxypropanoic acid.

Molecular Properties

Compound Nameacetic acid;3-amino-2-hydroxypropanoic acid
PubChem CID22281162
Molecular FormulaC7H15NO7
Molecular Weight225.20 g/mol
Exact Mass225.08
IUPAC Nameacetic acid;3-amino-2-hydroxypropanoic acid
SMILESCC(=O)O.CC(=O)O.NCC(O)C(=O)O
InChIInChI=1S/C3H7NO3.2C2H4O2/c4-1-2(5)3(6)7;2*1-2(3)4/h2,5H,1,4H2,(H,6,7);2*1H3,(H,3,4)
InChIKeyTUASJIPHKWFAEE-UHFFFAOYSA-N
XLogP-1.43
TPSA158.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 5-1.43
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of acetic acid;3-amino-2-hydroxypropanoic acid?
The IUPAC name of acetic acid;3-amino-2-hydroxypropanoic acid (CID 22281162) is acetic acid;3-amino-2-hydroxypropanoic acid.
What is the SMILES notation for acetic acid;3-amino-2-hydroxypropanoic acid?
The canonical SMILES for acetic acid;3-amino-2-hydroxypropanoic acid is CC(=O)O.CC(=O)O.NCC(O)C(=O)O.
What is the InChIKey of acetic acid;3-amino-2-hydroxypropanoic acid?
The InChIKey is TUASJIPHKWFAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO3.2C2H4O2/c4-1-2(5)3(6)7;2*1-2(3)4/h2,5H,1,4H2,(H,6,7);2*1H3,(H,3,4).
What are the key properties of acetic acid;3-amino-2-hydroxypropanoic acid?
acetic acid;3-amino-2-hydroxypropanoic acid has a molecular weight of 225.20 g/mol, XLogP of -1.43, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;3-amino-2-hydroxypropanoic acid is sourced from PubChem (CID 22281162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).