azane;propane-1,2-diol;propanoic acid

C6H17NO4 — CID 175501884

IUPACazane;propane-1,2-diol;propanoic acid
SMILESCC(O)CO.CCC(=O)O.N
InChIInChI=1S/C3H8O2.C3H6O2.H3N/c1-3(5)2-4;1-2-3(4)5;/h3-5H,2H2,1H3;2H2,1H3,(H,4,5);1H3
InChIKeyLHJBCRGQYGQGBB-UHFFFAOYSA-N
MW167.20 g/mol
LogP0.00
Rot. Bonds2

About azane;propane-1,2-diol;propanoic acid

azane;propane-1,2-diol;propanoic acid (PubChem CID 175501884) has the molecular formula C6H17NO4 and a molecular weight of 167.20 g/mol. Its IUPAC name is azane;propane-1,2-diol;propanoic acid.

Molecular Properties

Compound Nameazane;propane-1,2-diol;propanoic acid
PubChem CID175501884
Molecular FormulaC6H17NO4
Molecular Weight167.20 g/mol
Exact Mass167.12
IUPAC Nameazane;propane-1,2-diol;propanoic acid
SMILESCC(O)CO.CCC(=O)O.N
InChIInChI=1S/C3H8O2.C3H6O2.H3N/c1-3(5)2-4;1-2-3(4)5;/h3-5H,2H2,1H3;2H2,1H3,(H,4,5);1H3
InChIKeyLHJBCRGQYGQGBB-UHFFFAOYSA-N
XLogP0.00
TPSA112.76 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.20
LogP ≤ 50.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze azane;propane-1,2-diol;propanoic acid 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

carbonic acid;(2S)-propane-1,2-diol
CID 70700046
2-hydroxypropanoic acid;propane-1,2-diol
CID 87142668
carbonic acid;ethane-1,2-diol;propane-1,2-diol
CID 175558536
2-methylpropanoic acid;propanoic acid;zirconium
CID 175540566
2-hydroxypropanoic acid;propanoic acid
CID 175004384
azane;propanoic acid;hydrofluoride
CID 174943472
propane-1,2-diol
CID 23506506
hexane-1,5-diol;propanoic acid
CID 175133260
but-2-enedioic acid;propane-1,2-diol
CID 71366935
1-(methylamino)ethanol;propanoic acid
CID 173051443
bis(pentadecanoic acid);propane-1,2-diol
CID 121387964
octacosanoic acid;propane-1,2-diol
CID 161425866

Frequently Asked Questions

What is the IUPAC name of azane;propane-1,2-diol;propanoic acid?
The IUPAC name of azane;propane-1,2-diol;propanoic acid (CID 175501884) is azane;propane-1,2-diol;propanoic acid.
What is the SMILES notation for azane;propane-1,2-diol;propanoic acid?
The canonical SMILES for azane;propane-1,2-diol;propanoic acid is CC(O)CO.CCC(=O)O.N.
What is the InChIKey of azane;propane-1,2-diol;propanoic acid?
The InChIKey is LHJBCRGQYGQGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O2.C3H6O2.H3N/c1-3(5)2-4;1-2-3(4)5;/h3-5H,2H2,1H3;2H2,1H3,(H,4,5);1H3.
What are the key properties of azane;propane-1,2-diol;propanoic acid?
azane;propane-1,2-diol;propanoic acid has a molecular weight of 167.20 g/mol, XLogP of 0.00, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;propane-1,2-diol;propanoic acid is sourced from PubChem (CID 175501884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).