2-[[(2S)-pyrrolidin-2-yl]methylamino]ethanol

C7H16N2O — CID 55300005

IUPAC2-[[(2S)-pyrrolidin-2-yl]methylamino]ethanol
SMILESOCCNC[C@@H]1CCCN1
InChIInChI=1S/C7H16N2O/c10-5-4-8-6-7-2-1-3-9-7/h7-10H,1-6H2/t7-/m0/s1
InChIKeyXQCGHKDJSXQCCN-ZETCQYMHSA-N
MW144.22 g/mol
LogP-0.68
Rot. Bonds4

About 2-[[(2S)-pyrrolidin-2-yl]methylamino]ethanol

2-[[(2S)-pyrrolidin-2-yl]methylamino]ethanol (PubChem CID 55300005) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is 2-[[(2S)-pyrrolidin-2-yl]methylamino]ethanol.

Molecular Properties

Compound Name2-[[(2S)-pyrrolidin-2-yl]methylamino]ethanol
PubChem CID55300005
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name2-[[(2S)-pyrrolidin-2-yl]methylamino]ethanol
SMILESOCCNC[C@@H]1CCCN1
InChIInChI=1S/C7H16N2O/c10-5-4-8-6-7-2-1-3-9-7/h7-10H,1-6H2/t7-/m0/s1
InChIKeyXQCGHKDJSXQCCN-ZETCQYMHSA-N
XLogP-0.68
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-pyrrolidin-2-yl]methylamino]ethanol?
The IUPAC name of 2-[[(2S)-pyrrolidin-2-yl]methylamino]ethanol (CID 55300005) is 2-[[(2S)-pyrrolidin-2-yl]methylamino]ethanol.
What is the SMILES notation for 2-[[(2S)-pyrrolidin-2-yl]methylamino]ethanol?
The canonical SMILES for 2-[[(2S)-pyrrolidin-2-yl]methylamino]ethanol is OCCNC[C@@H]1CCCN1.
What is the InChIKey of 2-[[(2S)-pyrrolidin-2-yl]methylamino]ethanol?
The InChIKey is XQCGHKDJSXQCCN-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H16N2O/c10-5-4-8-6-7-2-1-3-9-7/h7-10H,1-6H2/t7-/m0/s1.
What are the key properties of 2-[[(2S)-pyrrolidin-2-yl]methylamino]ethanol?
2-[[(2S)-pyrrolidin-2-yl]methylamino]ethanol has a molecular weight of 144.22 g/mol, XLogP of -0.68, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-pyrrolidin-2-yl]methylamino]ethanol is sourced from PubChem (CID 55300005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).