acetic acid;cerium;3,4-diaminobutan-2-ol

C10H24CeN2O7 — CID 175563182

IUPACacetic acid;cerium;3,4-diaminobutan-2-ol
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(O)C(N)CN.[Ce]
InChIInChI=1S/C4H12N2O.3C2H4O2.Ce/c1-3(7)4(6)2-5;3*1-2(3)4;/h3-4,7H,2,5-6H2,1H3;3*1H3,(H,3,4);
InChIKeyWNXAJZHNZBMSQZ-UHFFFAOYSA-N
MW424.43 g/mol
LogP-1.07
Rot. Bonds2

About acetic acid;cerium;3,4-diaminobutan-2-ol

acetic acid;cerium;3,4-diaminobutan-2-ol (PubChem CID 175563182) has the molecular formula C10H24CeN2O7 and a molecular weight of 424.43 g/mol. Its IUPAC name is acetic acid;cerium;3,4-diaminobutan-2-ol.

Molecular Properties

Compound Nameacetic acid;cerium;3,4-diaminobutan-2-ol
PubChem CID175563182
Molecular FormulaC10H24CeN2O7
Molecular Weight424.43 g/mol
Exact Mass424.06
IUPAC Nameacetic acid;cerium;3,4-diaminobutan-2-ol
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(O)C(N)CN.[Ce]
InChIInChI=1S/C4H12N2O.3C2H4O2.Ce/c1-3(7)4(6)2-5;3*1-2(3)4;/h3-4,7H,2,5-6H2,1H3;3*1H3,(H,3,4);
InChIKeyWNXAJZHNZBMSQZ-UHFFFAOYSA-N
XLogP-1.07
TPSA184.17 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.43
LogP ≤ 5-1.07
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

acetic acid;3,4-diaminobutan-2-ol;lanthanum
CID 175563180
CID 173365109
CID 173365109
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CID 87647185
acetic acid;copper;2-methylpropan-1-amine
CID 88782115
acetic acid;ethane-1,1-diamine
CID 157325550
acetic acid;3-amino-2-hydroxypropanoic acid
CID 172822941
acetic acid;1,3-diaminopropan-2-ol;ethane-1,2-diamine
CID 160667844
acetic acid;3,4-diaminobutane-1,1-diol
CID 87796171
acetic acid;methanediamine
CID 162329452
acetic acid;3-aminopropane-1,2-diol
CID 158327345
acetic acid;(2S)-2-aminopropanoic acid
CID 87112640
acetic acid;(2S)-2-aminopropanoic acid
CID 87950802

Frequently Asked Questions

What is the IUPAC name of acetic acid;cerium;3,4-diaminobutan-2-ol?
The IUPAC name of acetic acid;cerium;3,4-diaminobutan-2-ol (CID 175563182) is acetic acid;cerium;3,4-diaminobutan-2-ol.
What is the SMILES notation for acetic acid;cerium;3,4-diaminobutan-2-ol?
The canonical SMILES for acetic acid;cerium;3,4-diaminobutan-2-ol is CC(=O)O.CC(=O)O.CC(=O)O.CC(O)C(N)CN.[Ce].
What is the InChIKey of acetic acid;cerium;3,4-diaminobutan-2-ol?
The InChIKey is WNXAJZHNZBMSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O.3C2H4O2.Ce/c1-3(7)4(6)2-5;3*1-2(3)4;/h3-4,7H,2,5-6H2,1H3;3*1H3,(H,3,4);.
What are the key properties of acetic acid;cerium;3,4-diaminobutan-2-ol?
acetic acid;cerium;3,4-diaminobutan-2-ol has a molecular weight of 424.43 g/mol, XLogP of -1.07, 2 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;cerium;3,4-diaminobutan-2-ol is sourced from PubChem (CID 175563182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).