5-amino-3-(2-hydroxyethyl)pentane-1,4-diol

C7H17NO3 — CID 57004338

IUPAC5-amino-3-(2-hydroxyethyl)pentane-1,4-diol
SMILESNCC(O)C(CCO)CCO
InChIInChI=1S/C7H17NO3/c8-5-7(11)6(1-3-9)2-4-10/h6-7,9-11H,1-5,8H2
InChIKeyJJPWMTDVDQKSBM-UHFFFAOYSA-N
MW163.22 g/mol
LogP-1.31
Rot. Bonds6

About 5-amino-3-(2-hydroxyethyl)pentane-1,4-diol

5-amino-3-(2-hydroxyethyl)pentane-1,4-diol (PubChem CID 57004338) has the molecular formula C7H17NO3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 5-amino-3-(2-hydroxyethyl)pentane-1,4-diol.

Molecular Properties

Compound Name5-amino-3-(2-hydroxyethyl)pentane-1,4-diol
PubChem CID57004338
Molecular FormulaC7H17NO3
Molecular Weight163.22 g/mol
Exact Mass163.12
IUPAC Name5-amino-3-(2-hydroxyethyl)pentane-1,4-diol
SMILESNCC(O)C(CCO)CCO
InChIInChI=1S/C7H17NO3/c8-5-7(11)6(1-3-9)2-4-10/h6-7,9-11H,1-5,8H2
InChIKeyJJPWMTDVDQKSBM-UHFFFAOYSA-N
XLogP-1.31
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 5-1.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-Amino-3-ethylpentan-2-ol
CID 18356486
2-Amino-1-(oxan-4-yl)ethan-1-ol hydrochloride
CID 54594265
2-Amino-1-(tetrahydro-2H-pyran-4-yl)ethanol
CID 54594266
5-Aminopentane-1,4-diol
CID 10772966
(4S)-5-aminopentane-1,4-diol
CID 14243207
3-(2-Aminoethyl)pentane-1,5-diol
CID 21532435
(2R)-1-amino-3-ethylpentan-2-ol
CID 51652318
3-(2,2-Diaminoethyl)pentane-1,5-diol
CID 53968868
1-Amino-3-(1-hydroxyethyl)pentane-1,4-diol
CID 57137597
1-Amino-5-methylhexane-2,5-diol
CID 57185432
1-Amino-3-ethylpentane-1,4-diol
CID 57220298
2-(2-Aminoethyl)butane-1,4-diol
CID 87770529

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(2-hydroxyethyl)pentane-1,4-diol?
The IUPAC name of 5-amino-3-(2-hydroxyethyl)pentane-1,4-diol (CID 57004338) is 5-amino-3-(2-hydroxyethyl)pentane-1,4-diol.
What is the SMILES notation for 5-amino-3-(2-hydroxyethyl)pentane-1,4-diol?
The canonical SMILES for 5-amino-3-(2-hydroxyethyl)pentane-1,4-diol is NCC(O)C(CCO)CCO.
What is the InChIKey of 5-amino-3-(2-hydroxyethyl)pentane-1,4-diol?
The InChIKey is JJPWMTDVDQKSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO3/c8-5-7(11)6(1-3-9)2-4-10/h6-7,9-11H,1-5,8H2.
What are the key properties of 5-amino-3-(2-hydroxyethyl)pentane-1,4-diol?
5-amino-3-(2-hydroxyethyl)pentane-1,4-diol has a molecular weight of 163.22 g/mol, XLogP of -1.31, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(2-hydroxyethyl)pentane-1,4-diol is sourced from PubChem (CID 57004338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).