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

C10H24LaN2O7 — CID 175563180

IUPACacetic acid;3,4-diaminobutan-2-ol;lanthanum
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(O)C(N)CN.[La]
InChIInChI=1S/C4H12N2O.3C2H4O2.La/c1-3(7)4(6)2-5;3*1-2(3)4;/h3-4,7H,2,5-6H2,1H3;3*1H3,(H,3,4);
InChIKeyBACAQCJMENPDLQ-UHFFFAOYSA-N
MW423.22 g/mol
LogP-1.07
Rot. Bonds2

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

acetic acid;3,4-diaminobutan-2-ol;lanthanum (PubChem CID 175563180) has the molecular formula C10H24LaN2O7 and a molecular weight of 423.22 g/mol. Its IUPAC name is acetic acid;3,4-diaminobutan-2-ol;lanthanum.

Molecular Properties

Compound Nameacetic acid;3,4-diaminobutan-2-ol;lanthanum
PubChem CID175563180
Molecular FormulaC10H24LaN2O7
Molecular Weight423.22 g/mol
Exact Mass423.06
IUPAC Nameacetic acid;3,4-diaminobutan-2-ol;lanthanum
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(O)C(N)CN.[La]
InChIInChI=1S/C4H12N2O.3C2H4O2.La/c1-3(7)4(6)2-5;3*1-2(3)4;/h3-4,7H,2,5-6H2,1H3;3*1H3,(H,3,4);
InChIKeyBACAQCJMENPDLQ-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 ≤ 500423.22
LogP ≤ 5-1.07
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of acetic acid;3,4-diaminobutan-2-ol;lanthanum?
The IUPAC name of acetic acid;3,4-diaminobutan-2-ol;lanthanum (CID 175563180) is acetic acid;3,4-diaminobutan-2-ol;lanthanum.
What is the SMILES notation for acetic acid;3,4-diaminobutan-2-ol;lanthanum?
The canonical SMILES for acetic acid;3,4-diaminobutan-2-ol;lanthanum is CC(=O)O.CC(=O)O.CC(=O)O.CC(O)C(N)CN.[La].
What is the InChIKey of acetic acid;3,4-diaminobutan-2-ol;lanthanum?
The InChIKey is BACAQCJMENPDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O.3C2H4O2.La/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;3,4-diaminobutan-2-ol;lanthanum?
acetic acid;3,4-diaminobutan-2-ol;lanthanum has a molecular weight of 423.22 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;3,4-diaminobutan-2-ol;lanthanum is sourced from PubChem (CID 175563180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).