acetic acid;3-aminopropane-1,2-diol

C5H13NO4 — CID 158327345

IUPACacetic acid;3-aminopropane-1,2-diol
SMILESCC(=O)O.NCC(O)CO
InChIInChI=1S/C3H9NO2.C2H4O2/c4-1-3(6)2-5;1-2(3)4/h3,5-6H,1-2,4H2;1H3,(H,3,4)
InChIKeyGPONHVCXBMXSGA-UHFFFAOYSA-N
MW151.16 g/mol
LogP-1.61
Rot. Bonds2

About acetic acid;3-aminopropane-1,2-diol

acetic acid;3-aminopropane-1,2-diol (PubChem CID 158327345) has the molecular formula C5H13NO4 and a molecular weight of 151.16 g/mol. Its IUPAC name is acetic acid;3-aminopropane-1,2-diol.

Molecular Properties

Compound Nameacetic acid;3-aminopropane-1,2-diol
PubChem CID158327345
Molecular FormulaC5H13NO4
Molecular Weight151.16 g/mol
Exact Mass151.08
IUPAC Nameacetic acid;3-aminopropane-1,2-diol
SMILESCC(=O)O.NCC(O)CO
InChIInChI=1S/C3H9NO2.C2H4O2/c4-1-3(6)2-5;1-2(3)4/h3,5-6H,1-2,4H2;1H3,(H,3,4)
InChIKeyGPONHVCXBMXSGA-UHFFFAOYSA-N
XLogP-1.61
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 5-1.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of acetic acid;3-aminopropane-1,2-diol?
The IUPAC name of acetic acid;3-aminopropane-1,2-diol (CID 158327345) is acetic acid;3-aminopropane-1,2-diol.
What is the SMILES notation for acetic acid;3-aminopropane-1,2-diol?
The canonical SMILES for acetic acid;3-aminopropane-1,2-diol is CC(=O)O.NCC(O)CO.
What is the InChIKey of acetic acid;3-aminopropane-1,2-diol?
The InChIKey is GPONHVCXBMXSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO2.C2H4O2/c4-1-3(6)2-5;1-2(3)4/h3,5-6H,1-2,4H2;1H3,(H,3,4).
What are the key properties of acetic acid;3-aminopropane-1,2-diol?
acetic acid;3-aminopropane-1,2-diol has a molecular weight of 151.16 g/mol, XLogP of -1.61, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;3-aminopropane-1,2-diol is sourced from PubChem (CID 158327345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).