2-[3-amino-1-(2-hydroxyethyl)pyrrolidin-3-yl]ethanol

C8H18N2O2 — CID 83914712

IUPAC2-[3-amino-1-(2-hydroxyethyl)pyrrolidin-3-yl]ethanol
SMILESNC1(CCO)CCN(CCO)C1
InChIInChI=1S/C8H18N2O2/c9-8(2-5-11)1-3-10(7-8)4-6-12/h11-12H,1-7,9H2
InChIKeyJALQJFMRSXZCFU-UHFFFAOYSA-N
MW174.24 g/mol
LogP-1.24
Rot. Bonds4

About 2-[3-amino-1-(2-hydroxyethyl)pyrrolidin-3-yl]ethanol

2-[3-amino-1-(2-hydroxyethyl)pyrrolidin-3-yl]ethanol (PubChem CID 83914712) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 2-[3-amino-1-(2-hydroxyethyl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[3-amino-1-(2-hydroxyethyl)pyrrolidin-3-yl]ethanol
PubChem CID83914712
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name2-[3-amino-1-(2-hydroxyethyl)pyrrolidin-3-yl]ethanol
SMILESNC1(CCO)CCN(CCO)C1
InChIInChI=1S/C8H18N2O2/c9-8(2-5-11)1-3-10(7-8)4-6-12/h11-12H,1-7,9H2
InChIKeyJALQJFMRSXZCFU-UHFFFAOYSA-N
XLogP-1.24
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 5-1.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-1-(2-hydroxyethyl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[3-amino-1-(2-hydroxyethyl)pyrrolidin-3-yl]ethanol (CID 83914712) is 2-[3-amino-1-(2-hydroxyethyl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[3-amino-1-(2-hydroxyethyl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[3-amino-1-(2-hydroxyethyl)pyrrolidin-3-yl]ethanol is NC1(CCO)CCN(CCO)C1.
What is the InChIKey of 2-[3-amino-1-(2-hydroxyethyl)pyrrolidin-3-yl]ethanol?
The InChIKey is JALQJFMRSXZCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c9-8(2-5-11)1-3-10(7-8)4-6-12/h11-12H,1-7,9H2.
What are the key properties of 2-[3-amino-1-(2-hydroxyethyl)pyrrolidin-3-yl]ethanol?
2-[3-amino-1-(2-hydroxyethyl)pyrrolidin-3-yl]ethanol has a molecular weight of 174.24 g/mol, XLogP of -1.24, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-1-(2-hydroxyethyl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 83914712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).