acetic acid;2-amino-2-propan-2-ylpropane-1,3-diol

C8H19NO4 — CID 86741967

IUPACacetic acid;2-amino-2-propan-2-ylpropane-1,3-diol
SMILESCC(=O)O.CC(C)C(N)(CO)CO
InChIInChI=1S/C6H15NO2.C2H4O2/c1-5(2)6(7,3-8)4-9;1-2(3)4/h5,8-9H,3-4,7H2,1-2H3;1H3,(H,3,4)
InChIKeyBCZVTCWZXUIICY-UHFFFAOYSA-N
MW193.24 g/mol
LogP-0.58
Rot. Bonds3

About acetic acid;2-amino-2-propan-2-ylpropane-1,3-diol

acetic acid;2-amino-2-propan-2-ylpropane-1,3-diol (PubChem CID 86741967) has the molecular formula C8H19NO4 and a molecular weight of 193.24 g/mol. Its IUPAC name is acetic acid;2-amino-2-propan-2-ylpropane-1,3-diol.

Molecular Properties

Compound Nameacetic acid;2-amino-2-propan-2-ylpropane-1,3-diol
PubChem CID86741967
Molecular FormulaC8H19NO4
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Nameacetic acid;2-amino-2-propan-2-ylpropane-1,3-diol
SMILESCC(=O)O.CC(C)C(N)(CO)CO
InChIInChI=1S/C6H15NO2.C2H4O2/c1-5(2)6(7,3-8)4-9;1-2(3)4/h5,8-9H,3-4,7H2,1-2H3;1H3,(H,3,4)
InChIKeyBCZVTCWZXUIICY-UHFFFAOYSA-N
XLogP-0.58
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 5-0.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

[2-amino-2-(hydroxymethyl)-3-methylbutyl] acetate
CID 14391248
acetic acid;bis(2,2-bis(hydroxymethyl)propane-1,3-diol)
CID 173446571
acetic acid;ethane-1,1-diamine
CID 157325550
acetic acid;ethane;methanamine;methane;propan-2-one
CID 161286657
2-amino-2-methylpropan-1-ol;carbonic acid
CID 21330274
2,3-diamino-2-(hydroxymethyl)butanoic acid
CID 22035189
acetic acid;3-amino-3-(2-hydroxyethyl)pentane-1,5-diol
CID 173173099
acetic acid;1-aminoethanol
CID 87647185
acetic acid;3-(hydroxymethyl)-2,3-dimethylpentane-2,4-diol
CID 162322991
2-acetyl-2-amino-3-methylbutanoic acid
CID 18917748
hydrazine;3-methylbutanoic acid
CID 175217584
acetic acid;2,6-dimethylheptan-4-one
CID 135383464

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-amino-2-propan-2-ylpropane-1,3-diol?
The IUPAC name of acetic acid;2-amino-2-propan-2-ylpropane-1,3-diol (CID 86741967) is acetic acid;2-amino-2-propan-2-ylpropane-1,3-diol.
What is the SMILES notation for acetic acid;2-amino-2-propan-2-ylpropane-1,3-diol?
The canonical SMILES for acetic acid;2-amino-2-propan-2-ylpropane-1,3-diol is CC(=O)O.CC(C)C(N)(CO)CO.
What is the InChIKey of acetic acid;2-amino-2-propan-2-ylpropane-1,3-diol?
The InChIKey is BCZVTCWZXUIICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2.C2H4O2/c1-5(2)6(7,3-8)4-9;1-2(3)4/h5,8-9H,3-4,7H2,1-2H3;1H3,(H,3,4).
What are the key properties of acetic acid;2-amino-2-propan-2-ylpropane-1,3-diol?
acetic acid;2-amino-2-propan-2-ylpropane-1,3-diol has a molecular weight of 193.24 g/mol, XLogP of -0.58, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-amino-2-propan-2-ylpropane-1,3-diol is sourced from PubChem (CID 86741967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).