4-aminobutanoic acid;propane-1,2,3-triol

C7H17NO5 — CID 175213071

IUPAC4-aminobutanoic acid;propane-1,2,3-triol
SMILESNCCCC(=O)O.OCC(O)CO
InChIInChI=1S/C4H9NO2.C3H8O3/c5-3-1-2-4(6)7;4-1-3(6)2-5/h1-3,5H2,(H,6,7);3-6H,1-2H2
InChIKeyVZZVNHRSLVTHDR-UHFFFAOYSA-N
MW195.21 g/mol
LogP-1.86
Rot. Bonds5

About 4-aminobutanoic acid;propane-1,2,3-triol

4-aminobutanoic acid;propane-1,2,3-triol (PubChem CID 175213071) has the molecular formula C7H17NO5 and a molecular weight of 195.21 g/mol. Its IUPAC name is 4-aminobutanoic acid;propane-1,2,3-triol.

Molecular Properties

Compound Name4-aminobutanoic acid;propane-1,2,3-triol
PubChem CID175213071
Molecular FormulaC7H17NO5
Molecular Weight195.21 g/mol
Exact Mass195.11
IUPAC Name4-aminobutanoic acid;propane-1,2,3-triol
SMILESNCCCC(=O)O.OCC(O)CO
InChIInChI=1S/C4H9NO2.C3H8O3/c5-3-1-2-4(6)7;4-1-3(6)2-5/h1-3,5H2,(H,6,7);3-6H,1-2H2
InChIKeyVZZVNHRSLVTHDR-UHFFFAOYSA-N
XLogP-1.86
TPSA124.01 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 5-1.86
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

decanedioic acid;hexakis(propane-1,2,3-triol)
CID 157296752
4-aminobutanoic acid;dihydrochloride
CID 87111723
potassium;4-aminobutanoic acid;hydride
CID 173078667
4-aminobutanoic acid;urea
CID 87654258
5,6-dihydroxyhexanoic acid
CID 15140307
(5S)-5,6-dihydroxyhexanoic acid
CID 88918822
tetrakis(hexanoic acid);bis(propane-1,2,3-triol)
CID 173047943
tetrakis(decanoic acid);pentakis(propane-1,2,3-triol)
CID 159712204
docosanoic acid;hexakis(propane-1,2,3-triol)
CID 161031010
hexakis(propane-1,2,3-triol);tetrakis(tetradecanoic acid)
CID 161223190
decanedioic acid;2-hydroxypropanoic acid;propane-1,2,3-triol
CID 160502483
propane-1,2,3-triol;tetradecanoic acid
CID 19606662

Frequently Asked Questions

What is the IUPAC name of 4-aminobutanoic acid;propane-1,2,3-triol?
The IUPAC name of 4-aminobutanoic acid;propane-1,2,3-triol (CID 175213071) is 4-aminobutanoic acid;propane-1,2,3-triol.
What is the SMILES notation for 4-aminobutanoic acid;propane-1,2,3-triol?
The canonical SMILES for 4-aminobutanoic acid;propane-1,2,3-triol is NCCCC(=O)O.OCC(O)CO.
What is the InChIKey of 4-aminobutanoic acid;propane-1,2,3-triol?
The InChIKey is VZZVNHRSLVTHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2.C3H8O3/c5-3-1-2-4(6)7;4-1-3(6)2-5/h1-3,5H2,(H,6,7);3-6H,1-2H2.
What are the key properties of 4-aminobutanoic acid;propane-1,2,3-triol?
4-aminobutanoic acid;propane-1,2,3-triol has a molecular weight of 195.21 g/mol, XLogP of -1.86, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobutanoic acid;propane-1,2,3-triol is sourced from PubChem (CID 175213071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).