(3S)-3-amino-1-(2-hydroxyethyl)pyrrolidin-2-one;hydrochloride

C6H13ClN2O2 — CID 67416985

IUPAC(3S)-3-amino-1-(2-hydroxyethyl)pyrrolidin-2-one;hydrochloride
SMILESCl.N[C@H]1CCN(CCO)C1=O
InChIInChI=1S/C6H12N2O2.ClH/c7-5-1-2-8(3-4-9)6(5)10;/h5,9H,1-4,7H2;1H/t5-;/m0./s1
InChIKeyOFOWXKLDBSWTFI-JEDNCBNOSA-N
MW180.63 g/mol
LogP-1.04
Rot. Bonds2

About (3S)-3-amino-1-(2-hydroxyethyl)pyrrolidin-2-one;hydrochloride

(3S)-3-amino-1-(2-hydroxyethyl)pyrrolidin-2-one;hydrochloride (PubChem CID 67416985) has the molecular formula C6H13ClN2O2 and a molecular weight of 180.63 g/mol. Its IUPAC name is (3S)-3-amino-1-(2-hydroxyethyl)pyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name(3S)-3-amino-1-(2-hydroxyethyl)pyrrolidin-2-one;hydrochloride
PubChem CID67416985
Molecular FormulaC6H13ClN2O2
Molecular Weight180.63 g/mol
Exact Mass180.07
IUPAC Name(3S)-3-amino-1-(2-hydroxyethyl)pyrrolidin-2-one;hydrochloride
SMILESCl.N[C@H]1CCN(CCO)C1=O
InChIInChI=1S/C6H12N2O2.ClH/c7-5-1-2-8(3-4-9)6(5)10;/h5,9H,1-4,7H2;1H/t5-;/m0./s1
InChIKeyOFOWXKLDBSWTFI-JEDNCBNOSA-N
XLogP-1.04
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.63
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-1-(2-hydroxyethyl)pyrrolidin-2-one;hydrochloride?
The IUPAC name of (3S)-3-amino-1-(2-hydroxyethyl)pyrrolidin-2-one;hydrochloride (CID 67416985) is (3S)-3-amino-1-(2-hydroxyethyl)pyrrolidin-2-one;hydrochloride.
What is the SMILES notation for (3S)-3-amino-1-(2-hydroxyethyl)pyrrolidin-2-one;hydrochloride?
The canonical SMILES for (3S)-3-amino-1-(2-hydroxyethyl)pyrrolidin-2-one;hydrochloride is Cl.N[C@H]1CCN(CCO)C1=O.
What is the InChIKey of (3S)-3-amino-1-(2-hydroxyethyl)pyrrolidin-2-one;hydrochloride?
The InChIKey is OFOWXKLDBSWTFI-JEDNCBNOSA-N. The full InChI is InChI=1S/C6H12N2O2.ClH/c7-5-1-2-8(3-4-9)6(5)10;/h5,9H,1-4,7H2;1H/t5-;/m0./s1.
What are the key properties of (3S)-3-amino-1-(2-hydroxyethyl)pyrrolidin-2-one;hydrochloride?
(3S)-3-amino-1-(2-hydroxyethyl)pyrrolidin-2-one;hydrochloride has a molecular weight of 180.63 g/mol, XLogP of -1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-1-(2-hydroxyethyl)pyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 67416985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).