acetic acid;1-[bis(2-hydroxyethyl)amino]propan-2-ol

C9H21NO5 — CID 170839006

IUPACacetic acid;1-[bis(2-hydroxyethyl)amino]propan-2-ol
SMILESCC(=O)O.CC(O)CN(CCO)CCO
InChIInChI=1S/C7H17NO3.C2H4O2/c1-7(11)6-8(2-4-9)3-5-10;1-2(3)4/h7,9-11H,2-6H2,1H3;1H3,(H,3,4)
InChIKeyIHZIHLLQASIWGI-UHFFFAOYSA-N
MW223.27 g/mol
LogP-1.26
Rot. Bonds6

About acetic acid;1-[bis(2-hydroxyethyl)amino]propan-2-ol

acetic acid;1-[bis(2-hydroxyethyl)amino]propan-2-ol (PubChem CID 170839006) has the molecular formula C9H21NO5 and a molecular weight of 223.27 g/mol. Its IUPAC name is acetic acid;1-[bis(2-hydroxyethyl)amino]propan-2-ol.

Molecular Properties

Compound Nameacetic acid;1-[bis(2-hydroxyethyl)amino]propan-2-ol
PubChem CID170839006
Molecular FormulaC9H21NO5
Molecular Weight223.27 g/mol
Exact Mass223.14
IUPAC Nameacetic acid;1-[bis(2-hydroxyethyl)amino]propan-2-ol
SMILESCC(=O)O.CC(O)CN(CCO)CCO
InChIInChI=1S/C7H17NO3.C2H4O2/c1-7(11)6-8(2-4-9)3-5-10;1-2(3)4/h7,9-11H,2-6H2,1H3;1H3,(H,3,4)
InChIKeyIHZIHLLQASIWGI-UHFFFAOYSA-N
XLogP-1.26
TPSA101.23 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 5-1.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-[2-hydroxyethyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol
CID 6950665
(2S)-1-[ethyl(2-hydroxyethyl)amino]propan-2-ol
CID 106932732
2-[bis(2-hydroxyethyl)amino]ethanol;2-hydroxypropanoic acid;titanium
CID 87438440
3-[2-hydroxypropyl(3-hydroxypropyl)amino]-2-methylpropanoic acid
CID 82330163
acetic acid;2-[2-hydroxyethyl(methyl)amino]ethanol
CID 160580460
2-[2-(dimethylamino)propyl-(2-hydroxyethyl)amino]ethanol
CID 87217560
acetic acid;2-[2-aminoethyl(2-hydroxyethyl)amino]ethanol
CID 88745312
1-[2-hydroxyethyl-[2-(2-hydroxypropoxy)propyl]amino]propan-2-ol
CID 148541643
(3R,6S)-3,6-bis[4-[2-hydroxyethyl-[(2R)-2-hydroxypropyl]amino]butyl]piperazine-2,5-dione
CID 118616215
3-[2-hydroxypropyl(2-methylpropyl)amino]propanoic acid
CID 82328936
2-[carboxymethyl(2-hydroxypropyl)amino]acetic acid;manganese;trihydrate
CID 58773320
3-[3-acetamidopropyl(2-hydroxyethyl)amino]-2-methylpropanoic acid
CID 82329659

Frequently Asked Questions

What is the IUPAC name of acetic acid;1-[bis(2-hydroxyethyl)amino]propan-2-ol?
The IUPAC name of acetic acid;1-[bis(2-hydroxyethyl)amino]propan-2-ol (CID 170839006) is acetic acid;1-[bis(2-hydroxyethyl)amino]propan-2-ol.
What is the SMILES notation for acetic acid;1-[bis(2-hydroxyethyl)amino]propan-2-ol?
The canonical SMILES for acetic acid;1-[bis(2-hydroxyethyl)amino]propan-2-ol is CC(=O)O.CC(O)CN(CCO)CCO.
What is the InChIKey of acetic acid;1-[bis(2-hydroxyethyl)amino]propan-2-ol?
The InChIKey is IHZIHLLQASIWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO3.C2H4O2/c1-7(11)6-8(2-4-9)3-5-10;1-2(3)4/h7,9-11H,2-6H2,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;1-[bis(2-hydroxyethyl)amino]propan-2-ol?
acetic acid;1-[bis(2-hydroxyethyl)amino]propan-2-ol has a molecular weight of 223.27 g/mol, XLogP of -1.26, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1-[bis(2-hydroxyethyl)amino]propan-2-ol is sourced from PubChem (CID 170839006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).