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

Analyze acetic acid;3-aminopropane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-aminopropane-1,2-diol;oxalic acid
CID 160945488
acetic acid;1,3-diaminopropan-2-ol;ethane-1,2-diamine
CID 160667844
acetic acid;propane-1,2,3-triol;propan-2-one
CID 158983887
3-aminopropane-1,2-diol;hydrate
CID 173080490
acetic acid;ethane-1,2-diol;propane-1,2,3-triol
CID 174966848
acetic acid;butane-1,2-diol
CID 71357816
aminophosphonous acid;3-aminopropane-1,2-diol
CID 21467903
acetic acid;(2R,3S,4R)-5-aminopentane-1,2,3,4-tetrol
CID 46915821
bis(2-oxopropanoic acid);bis(propane-1,2,3-triol)
CID 175927088
acetic acid;3-(2,3-dihydroxypropoxy)propane-1,2-diol
CID 161329261
acetic acid;3-amino-2-hydroxypropanoic acid
CID 172822941
hydroxylamine;1-hydroxypropan-2-one;propane-1,2,3-triol
CID 87631073

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).