acetic acid;1-(2-hydroxypropylamino)propan-2-ol

C8H19NO4 — CID 23364159

IUPACacetic acid;1-(2-hydroxypropylamino)propan-2-ol
SMILESCC(=O)O.CC(O)CNCC(C)O
InChIInChI=1S/C6H15NO2.C2H4O2/c1-5(8)3-7-4-6(2)9;1-2(3)4/h5-9H,3-4H2,1-2H3;1H3,(H,3,4)
InChIKeyBPAHPAZJCDDXOA-UHFFFAOYSA-N
MW193.24 g/mol
LogP-0.57
Rot. Bonds4

About acetic acid;1-(2-hydroxypropylamino)propan-2-ol

acetic acid;1-(2-hydroxypropylamino)propan-2-ol (PubChem CID 23364159) has the molecular formula C8H19NO4 and a molecular weight of 193.24 g/mol. Its IUPAC name is acetic acid;1-(2-hydroxypropylamino)propan-2-ol.

Molecular Properties

Compound Nameacetic acid;1-(2-hydroxypropylamino)propan-2-ol
PubChem CID23364159
Molecular FormulaC8H19NO4
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Nameacetic acid;1-(2-hydroxypropylamino)propan-2-ol
SMILESCC(=O)O.CC(O)CNCC(C)O
InChIInChI=1S/C6H15NO2.C2H4O2/c1-5(8)3-7-4-6(2)9;1-2(3)4/h5-9H,3-4H2,1-2H3;1H3,(H,3,4)
InChIKeyBPAHPAZJCDDXOA-UHFFFAOYSA-N
XLogP-0.57
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 5-0.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of acetic acid;1-(2-hydroxypropylamino)propan-2-ol?
The IUPAC name of acetic acid;1-(2-hydroxypropylamino)propan-2-ol (CID 23364159) is acetic acid;1-(2-hydroxypropylamino)propan-2-ol.
What is the SMILES notation for acetic acid;1-(2-hydroxypropylamino)propan-2-ol?
The canonical SMILES for acetic acid;1-(2-hydroxypropylamino)propan-2-ol is CC(=O)O.CC(O)CNCC(C)O.
What is the InChIKey of acetic acid;1-(2-hydroxypropylamino)propan-2-ol?
The InChIKey is BPAHPAZJCDDXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2.C2H4O2/c1-5(8)3-7-4-6(2)9;1-2(3)4/h5-9H,3-4H2,1-2H3;1H3,(H,3,4).
What are the key properties of acetic acid;1-(2-hydroxypropylamino)propan-2-ol?
acetic acid;1-(2-hydroxypropylamino)propan-2-ol has a molecular weight of 193.24 g/mol, XLogP of -0.57, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1-(2-hydroxypropylamino)propan-2-ol is sourced from PubChem (CID 23364159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).