(4R)-4-aminopyrrolidin-2-one;dihydrochloride

C4H10Cl2N2O — CID 121000296

IUPAC(4R)-4-aminopyrrolidin-2-one;dihydrochloride
SMILESCl.Cl.N[C@H]1CNC(=O)C1
InChIInChI=1S/C4H8N2O.2ClH/c5-3-1-4(7)6-2-3;;/h3H,1-2,5H2,(H,6,7);2*1H/t3-;;/m1../s1
InChIKeyNOSSWWLXGQOIKR-HWYNEVGZSA-N
MW173.04 g/mol
LogP-0.32
Rot. Bonds

About (4R)-4-aminopyrrolidin-2-one;dihydrochloride

(4R)-4-aminopyrrolidin-2-one;dihydrochloride (PubChem CID 121000296) has the molecular formula C4H10Cl2N2O and a molecular weight of 173.04 g/mol. Its IUPAC name is (4R)-4-aminopyrrolidin-2-one;dihydrochloride.

Molecular Properties

Compound Name(4R)-4-aminopyrrolidin-2-one;dihydrochloride
PubChem CID121000296
Molecular FormulaC4H10Cl2N2O
Molecular Weight173.04 g/mol
Exact Mass172.02
IUPAC Name(4R)-4-aminopyrrolidin-2-one;dihydrochloride
SMILESCl.Cl.N[C@H]1CNC(=O)C1
InChIInChI=1S/C4H8N2O.2ClH/c5-3-1-4(7)6-2-3;;/h3H,1-2,5H2,(H,6,7);2*1H/t3-;;/m1../s1
InChIKeyNOSSWWLXGQOIKR-HWYNEVGZSA-N
XLogP-0.32
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.04
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(5S)-5-aminopiperidin-2-one;hydrochloride
CID 42614518
5-aminopiperidin-2-one;hydrochloride
CID 47002940
8-amino-1,4-diazonane-2,5-dione
CID 20847830
4-amino-5-hydroxypiperidin-2-one
CID 131579230
(4R)-4-aminoazepan-2-one
CID 18648126
(4S,5R)-4,5-dihydroxypiperidin-2-one
CID 57413174
4-amino-6-phenylazepan-2-one
CID 141148880
sodium;4-(aminomethyl)pyrrolidin-2-one;hydride
CID 173198416
(4S)-4-(2-fluoroethyl)pyrrolidin-2-one
CID 175917688
4-amino-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 118856234
(4S)-4-sulfanylpyrrolidin-2-one
CID 10486830
CID 66603050
CID 66603050

Frequently Asked Questions

What is the IUPAC name of (4R)-4-aminopyrrolidin-2-one;dihydrochloride?
The IUPAC name of (4R)-4-aminopyrrolidin-2-one;dihydrochloride (CID 121000296) is (4R)-4-aminopyrrolidin-2-one;dihydrochloride.
What is the SMILES notation for (4R)-4-aminopyrrolidin-2-one;dihydrochloride?
The canonical SMILES for (4R)-4-aminopyrrolidin-2-one;dihydrochloride is Cl.Cl.N[C@H]1CNC(=O)C1.
What is the InChIKey of (4R)-4-aminopyrrolidin-2-one;dihydrochloride?
The InChIKey is NOSSWWLXGQOIKR-HWYNEVGZSA-N. The full InChI is InChI=1S/C4H8N2O.2ClH/c5-3-1-4(7)6-2-3;;/h3H,1-2,5H2,(H,6,7);2*1H/t3-;;/m1../s1.
What are the key properties of (4R)-4-aminopyrrolidin-2-one;dihydrochloride?
(4R)-4-aminopyrrolidin-2-one;dihydrochloride has a molecular weight of 173.04 g/mol, XLogP of -0.32, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-aminopyrrolidin-2-one;dihydrochloride is sourced from PubChem (CID 121000296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).