(3S,5S)-3-amino-5-(hydroxymethyl)pyrrolidin-2-one;hydrochloride

C5H11ClN2O2 — CID 155339335

IUPAC(3S,5S)-3-amino-5-(hydroxymethyl)pyrrolidin-2-one;hydrochloride
SMILESCl.N[C@H]1C[C@@H](CO)NC1=O
InChIInChI=1S/C5H10N2O2.ClH/c6-4-1-3(2-8)7-5(4)9;/h3-4,8H,1-2,6H2,(H,7,9);1H/t3-,4-;/m0./s1
InChIKeyAZPGEVGVMXTWBS-MMALYQPHSA-N
MW166.61 g/mol
LogP-1.38
Rot. Bonds1

About (3S,5S)-3-amino-5-(hydroxymethyl)pyrrolidin-2-one;hydrochloride

(3S,5S)-3-amino-5-(hydroxymethyl)pyrrolidin-2-one;hydrochloride (PubChem CID 155339335) has the molecular formula C5H11ClN2O2 and a molecular weight of 166.61 g/mol. Its IUPAC name is (3S,5S)-3-amino-5-(hydroxymethyl)pyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name(3S,5S)-3-amino-5-(hydroxymethyl)pyrrolidin-2-one;hydrochloride
PubChem CID155339335
Molecular FormulaC5H11ClN2O2
Molecular Weight166.61 g/mol
Exact Mass166.05
IUPAC Name(3S,5S)-3-amino-5-(hydroxymethyl)pyrrolidin-2-one;hydrochloride
SMILESCl.N[C@H]1C[C@@H](CO)NC1=O
InChIInChI=1S/C5H10N2O2.ClH/c6-4-1-3(2-8)7-5(4)9;/h3-4,8H,1-2,6H2,(H,7,9);1H/t3-,4-;/m0./s1
InChIKeyAZPGEVGVMXTWBS-MMALYQPHSA-N
XLogP-1.38
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.61
LogP ≤ 5-1.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,5S)-3-amino-5-(hydroxymethyl)pyrrolidin-2-one;hydrochloride?
The IUPAC name of (3S,5S)-3-amino-5-(hydroxymethyl)pyrrolidin-2-one;hydrochloride (CID 155339335) is (3S,5S)-3-amino-5-(hydroxymethyl)pyrrolidin-2-one;hydrochloride.
What is the SMILES notation for (3S,5S)-3-amino-5-(hydroxymethyl)pyrrolidin-2-one;hydrochloride?
The canonical SMILES for (3S,5S)-3-amino-5-(hydroxymethyl)pyrrolidin-2-one;hydrochloride is Cl.N[C@H]1C[C@@H](CO)NC1=O.
What is the InChIKey of (3S,5S)-3-amino-5-(hydroxymethyl)pyrrolidin-2-one;hydrochloride?
The InChIKey is AZPGEVGVMXTWBS-MMALYQPHSA-N. The full InChI is InChI=1S/C5H10N2O2.ClH/c6-4-1-3(2-8)7-5(4)9;/h3-4,8H,1-2,6H2,(H,7,9);1H/t3-,4-;/m0./s1.
What are the key properties of (3S,5S)-3-amino-5-(hydroxymethyl)pyrrolidin-2-one;hydrochloride?
(3S,5S)-3-amino-5-(hydroxymethyl)pyrrolidin-2-one;hydrochloride has a molecular weight of 166.61 g/mol, XLogP of -1.38, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-3-amino-5-(hydroxymethyl)pyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 155339335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).