4-aminobutane-1,2-diol;ethane;terbium

C6H16NO2Tb- — CID 153386909

IUPAC4-aminobutane-1,2-diol;ethane;terbium
SMILESNCCC(O)CO.[CH2-]C.[Tb]
InChIInChI=1S/C4H11NO2.C2H5.Tb/c5-2-1-4(7)3-6;1-2;/h4,6-7H,1-3,5H2;1H2,2H3;/q;-1;
InChIKeyGBTUUJFCBOWYLE-UHFFFAOYSA-N
MW293.12 g/mol
LogP-0.47
Rot. Bonds3

About 4-aminobutane-1,2-diol;ethane;terbium

4-aminobutane-1,2-diol;ethane;terbium (PubChem CID 153386909) has the molecular formula C6H16NO2Tb- and a molecular weight of 293.12 g/mol. Its IUPAC name is 4-aminobutane-1,2-diol;ethane;terbium.

Molecular Properties

Compound Name4-aminobutane-1,2-diol;ethane;terbium
PubChem CID153386909
Molecular FormulaC6H16NO2Tb-
Molecular Weight293.12 g/mol
Exact Mass293.04
IUPAC Name4-aminobutane-1,2-diol;ethane;terbium
SMILESNCCC(O)CO.[CH2-]C.[Tb]
InChIInChI=1S/C4H11NO2.C2H5.Tb/c5-2-1-4(7)3-6;1-2;/h4,6-7H,1-3,5H2;1H2,2H3;/q;-1;
InChIKeyGBTUUJFCBOWYLE-UHFFFAOYSA-N
XLogP-0.47
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.12
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

bis((2S)-4-aminobutane-1,2-diol);sulfuric acid
CID 71422701
5-aminopentane-1,2-diol;hydrochloride
CID 86645443
6-aminohexane-1,2,5-triol
CID 19694623
(4R)-6-aminohexane-1,4-diol
CID 89292424
(2S)-4-amino-1-sulfanylbutan-2-ol
CID 146535668
4-amino-1-(dimethylamino)butan-2-ol;hydrochloride
CID 83967321
1-aminooctan-3-ol
CID 21436343
[(2R)-4-amino-2-hydroxybutyl]-trimethylazanium;chloride;hydrochloride
CID 155821322
1,7-diamino-6-methylheptan-3-ol
CID 88669461
butan-1-amine;propane-1,2,3-triol;hydrobromide
CID 174855809
(4-amino-2-hydroxybutyl)-trimethylazanium;chloride;hydrochloride
CID 3026354
(3R)-1-aminooctan-3-ol
CID 22797502

Frequently Asked Questions

What is the IUPAC name of 4-aminobutane-1,2-diol;ethane;terbium?
The IUPAC name of 4-aminobutane-1,2-diol;ethane;terbium (CID 153386909) is 4-aminobutane-1,2-diol;ethane;terbium.
What is the SMILES notation for 4-aminobutane-1,2-diol;ethane;terbium?
The canonical SMILES for 4-aminobutane-1,2-diol;ethane;terbium is NCCC(O)CO.[CH2-]C.[Tb].
What is the InChIKey of 4-aminobutane-1,2-diol;ethane;terbium?
The InChIKey is GBTUUJFCBOWYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO2.C2H5.Tb/c5-2-1-4(7)3-6;1-2;/h4,6-7H,1-3,5H2;1H2,2H3;/q;-1;.
What are the key properties of 4-aminobutane-1,2-diol;ethane;terbium?
4-aminobutane-1,2-diol;ethane;terbium has a molecular weight of 293.12 g/mol, XLogP of -0.47, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobutane-1,2-diol;ethane;terbium is sourced from PubChem (CID 153386909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).