(2R)-2,3-diaminopropan-1-ol;dihydrochloride

C3H12Cl2N2O — CID 75480765

IUPAC(2R)-2,3-diaminopropan-1-ol;dihydrochloride
SMILESCl.Cl.NC[C@@H](N)CO
InChIInChI=1S/C3H10N2O.2ClH/c4-1-3(5)2-6;;/h3,6H,1-2,4-5H2;2*1H/t3-;;/m1../s1
InChIKeyIKBUWJHUBADHSZ-HWYNEVGZSA-N
MW163.05 g/mol
LogP-0.89
Rot. Bonds2

About (2R)-2,3-diaminopropan-1-ol;dihydrochloride

(2R)-2,3-diaminopropan-1-ol;dihydrochloride (PubChem CID 75480765) has the molecular formula C3H12Cl2N2O and a molecular weight of 163.05 g/mol. Its IUPAC name is (2R)-2,3-diaminopropan-1-ol;dihydrochloride.

Molecular Properties

Compound Name(2R)-2,3-diaminopropan-1-ol;dihydrochloride
PubChem CID75480765
Molecular FormulaC3H12Cl2N2O
Molecular Weight163.05 g/mol
Exact Mass162.03
IUPAC Name(2R)-2,3-diaminopropan-1-ol;dihydrochloride
SMILESCl.Cl.NC[C@@H](N)CO
InChIInChI=1S/C3H10N2O.2ClH/c4-1-3(5)2-6;;/h3,6H,1-2,4-5H2;2*1H/t3-;;/m1../s1
InChIKeyIKBUWJHUBADHSZ-HWYNEVGZSA-N
XLogP-0.89
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.05
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2,3-diaminopropan-1-ol;dihydrochloride?
The IUPAC name of (2R)-2,3-diaminopropan-1-ol;dihydrochloride (CID 75480765) is (2R)-2,3-diaminopropan-1-ol;dihydrochloride.
What is the SMILES notation for (2R)-2,3-diaminopropan-1-ol;dihydrochloride?
The canonical SMILES for (2R)-2,3-diaminopropan-1-ol;dihydrochloride is Cl.Cl.NC[C@@H](N)CO.
What is the InChIKey of (2R)-2,3-diaminopropan-1-ol;dihydrochloride?
The InChIKey is IKBUWJHUBADHSZ-HWYNEVGZSA-N. The full InChI is InChI=1S/C3H10N2O.2ClH/c4-1-3(5)2-6;;/h3,6H,1-2,4-5H2;2*1H/t3-;;/m1../s1.
What are the key properties of (2R)-2,3-diaminopropan-1-ol;dihydrochloride?
(2R)-2,3-diaminopropan-1-ol;dihydrochloride has a molecular weight of 163.05 g/mol, XLogP of -0.89, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,3-diaminopropan-1-ol;dihydrochloride is sourced from PubChem (CID 75480765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).