acetic acid;1-aminoethanol

C6H15NO5 — CID 87647185

IUPACacetic acid;1-aminoethanol
SMILESCC(=O)O.CC(=O)O.CC(N)O
InChIInChI=1S/C2H7NO.2C2H4O2/c3*1-2(3)4/h2,4H,3H2,1H3;2*1H3,(H,3,4)
InChIKeyWRPPSWRZMBLBBX-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.53
Rot. Bonds

About acetic acid;1-aminoethanol

acetic acid;1-aminoethanol (PubChem CID 87647185) has the molecular formula C6H15NO5 and a molecular weight of 181.19 g/mol. Its IUPAC name is acetic acid;1-aminoethanol.

Molecular Properties

Compound Nameacetic acid;1-aminoethanol
PubChem CID87647185
Molecular FormulaC6H15NO5
Molecular Weight181.19 g/mol
Exact Mass181.10
IUPAC Nameacetic acid;1-aminoethanol
SMILESCC(=O)O.CC(=O)O.CC(N)O
InChIInChI=1S/C2H7NO.2C2H4O2/c3*1-2(3)4/h2,4H,3H2,1H3;2*1H3,(H,3,4)
InChIKeyWRPPSWRZMBLBBX-UHFFFAOYSA-N
XLogP-0.53
TPSA120.85 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

acetic acid;ethane-1,1-diamine
CID 157325550
acetic acid;(2S)-2-aminopropanoic acid
CID 87112640
acetic acid;(2S)-2-aminopropanoic acid
CID 87950802
acetic acid;methanetriol
CID 174483633
acetic acid;2-aminopropanoic acid;azane
CID 175391326
acetic acid;2,2-diaminoacetic acid
CID 129094898
1-aminoethanol;(E)-but-2-enoic acid
CID 87299473
acetic acid;methanol;propan-2-ol;propan-2-one;hydrate
CID 174718429
CID 173365109
CID 173365109
1-aminoethanol;dihydrate
CID 174522772
acetic acid
CID 158444727
acetic acid;3,4-diaminobutan-2-ol;lanthanum
CID 175563180

Frequently Asked Questions

What is the IUPAC name of acetic acid;1-aminoethanol?
The IUPAC name of acetic acid;1-aminoethanol (CID 87647185) is acetic acid;1-aminoethanol.
What is the SMILES notation for acetic acid;1-aminoethanol?
The canonical SMILES for acetic acid;1-aminoethanol is CC(=O)O.CC(=O)O.CC(N)O.
What is the InChIKey of acetic acid;1-aminoethanol?
The InChIKey is WRPPSWRZMBLBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NO.2C2H4O2/c3*1-2(3)4/h2,4H,3H2,1H3;2*1H3,(H,3,4).
What are the key properties of acetic acid;1-aminoethanol?
acetic acid;1-aminoethanol has a molecular weight of 181.19 g/mol, XLogP of -0.53, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1-aminoethanol is sourced from PubChem (CID 87647185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).