(3S)-3-aminopyrrolidin-2-one;hydrochloride

C4H9ClN2O — CID 53302067

IUPAC(3S)-3-aminopyrrolidin-2-one;hydrochloride
SMILESCl.N[C@H]1CCNC1=O
InChIInChI=1S/C4H8N2O.ClH/c5-3-1-2-6-4(3)7;/h3H,1-2,5H2,(H,6,7);1H/t3-;/m0./s1
InChIKeyQRKDBIIHVIKHJQ-DFWYDOINSA-N
MW136.58 g/mol
LogP-0.74
Rot. Bonds

About (3S)-3-aminopyrrolidin-2-one;hydrochloride

(3S)-3-aminopyrrolidin-2-one;hydrochloride (PubChem CID 53302067) has the molecular formula C4H9ClN2O and a molecular weight of 136.58 g/mol. Its IUPAC name is (3S)-3-aminopyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name(3S)-3-aminopyrrolidin-2-one;hydrochloride
PubChem CID53302067
Molecular FormulaC4H9ClN2O
Molecular Weight136.58 g/mol
Exact Mass136.04
IUPAC Name(3S)-3-aminopyrrolidin-2-one;hydrochloride
SMILESCl.N[C@H]1CCNC1=O
InChIInChI=1S/C4H8N2O.ClH/c5-3-1-2-6-4(3)7;/h3H,1-2,5H2,(H,6,7);1H/t3-;/m0./s1
InChIKeyQRKDBIIHVIKHJQ-DFWYDOINSA-N
XLogP-0.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.58
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-aminopyrrolidin-2-one;hydrochloride?
The IUPAC name of (3S)-3-aminopyrrolidin-2-one;hydrochloride (CID 53302067) is (3S)-3-aminopyrrolidin-2-one;hydrochloride.
What is the SMILES notation for (3S)-3-aminopyrrolidin-2-one;hydrochloride?
The canonical SMILES for (3S)-3-aminopyrrolidin-2-one;hydrochloride is Cl.N[C@H]1CCNC1=O.
What is the InChIKey of (3S)-3-aminopyrrolidin-2-one;hydrochloride?
The InChIKey is QRKDBIIHVIKHJQ-DFWYDOINSA-N. The full InChI is InChI=1S/C4H8N2O.ClH/c5-3-1-2-6-4(3)7;/h3H,1-2,5H2,(H,6,7);1H/t3-;/m0./s1.
What are the key properties of (3S)-3-aminopyrrolidin-2-one;hydrochloride?
(3S)-3-aminopyrrolidin-2-one;hydrochloride has a molecular weight of 136.58 g/mol, XLogP of -0.74, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-aminopyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 53302067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).