acetic acid;3-amino-3-(2-hydroxyethyl)pentane-1,5-diol

C9H21NO5 — CID 173173099

IUPACacetic acid;3-amino-3-(2-hydroxyethyl)pentane-1,5-diol
SMILESCC(=O)O.NC(CCO)(CCO)CCO
InChIInChI=1S/C7H17NO3.C2H4O2/c8-7(1-4-9,2-5-10)3-6-11;1-2(3)4/h9-11H,1-6,8H2;1H3,(H,3,4)
InChIKeyJULGCNHTRJHRAU-UHFFFAOYSA-N
MW223.27 g/mol
LogP-1.08
Rot. Bonds6

About acetic acid;3-amino-3-(2-hydroxyethyl)pentane-1,5-diol

acetic acid;3-amino-3-(2-hydroxyethyl)pentane-1,5-diol (PubChem CID 173173099) has the molecular formula C9H21NO5 and a molecular weight of 223.27 g/mol. Its IUPAC name is acetic acid;3-amino-3-(2-hydroxyethyl)pentane-1,5-diol.

Molecular Properties

Compound Nameacetic acid;3-amino-3-(2-hydroxyethyl)pentane-1,5-diol
PubChem CID173173099
Molecular FormulaC9H21NO5
Molecular Weight223.27 g/mol
Exact Mass223.14
IUPAC Nameacetic acid;3-amino-3-(2-hydroxyethyl)pentane-1,5-diol
SMILESCC(=O)O.NC(CCO)(CCO)CCO
InChIInChI=1S/C7H17NO3.C2H4O2/c8-7(1-4-9,2-5-10)3-6-11;1-2(3)4/h9-11H,1-6,8H2;1H3,(H,3,4)
InChIKeyJULGCNHTRJHRAU-UHFFFAOYSA-N
XLogP-1.08
TPSA124.01 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 5-1.08
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-3-(2-hydroxyethyl)pentane-1,5-diol;sulfuric acid
CID 90239687
2,2-diamino-4-hydroxybutanoic acid
CID 21257162
(E)-but-2-enedioic acid;4-propylheptan-4-amine
CID 162334092
2-amino-2-ethyl-4-hydroxybutanoic acid
CID 20523504
3-amino-3-ethylpentan-1-ol;formic acid
CID 173452352
carbamic acid;3,3-dimethylbutan-1-ol
CID 71436896
acetic acid;butane-1,4-diol
CID 53446412
acetic acid;3,5-dihydroxy-3-methylpentanoic acid
CID 175134746
acetic acid;2-(1,1-diaminoethoxy)ethanol
CID 173101574
3-amino-3-hexadecylpentane-1,5-diol;hydrochloride
CID 173408839
3-amino-3-octadecylpentane-1,5-diol;hydrochloride
CID 173050553
(2S)-2-amino-2-propylbutane-1,4-diol
CID 174635362

Frequently Asked Questions

What is the IUPAC name of acetic acid;3-amino-3-(2-hydroxyethyl)pentane-1,5-diol?
The IUPAC name of acetic acid;3-amino-3-(2-hydroxyethyl)pentane-1,5-diol (CID 173173099) is acetic acid;3-amino-3-(2-hydroxyethyl)pentane-1,5-diol.
What is the SMILES notation for acetic acid;3-amino-3-(2-hydroxyethyl)pentane-1,5-diol?
The canonical SMILES for acetic acid;3-amino-3-(2-hydroxyethyl)pentane-1,5-diol is CC(=O)O.NC(CCO)(CCO)CCO.
What is the InChIKey of acetic acid;3-amino-3-(2-hydroxyethyl)pentane-1,5-diol?
The InChIKey is JULGCNHTRJHRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO3.C2H4O2/c8-7(1-4-9,2-5-10)3-6-11;1-2(3)4/h9-11H,1-6,8H2;1H3,(H,3,4).
What are the key properties of acetic acid;3-amino-3-(2-hydroxyethyl)pentane-1,5-diol?
acetic acid;3-amino-3-(2-hydroxyethyl)pentane-1,5-diol has a molecular weight of 223.27 g/mol, XLogP of -1.08, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;3-amino-3-(2-hydroxyethyl)pentane-1,5-diol is sourced from PubChem (CID 173173099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).