(4R,5S)-4-amino-5-propan-2-ylpyrrolidin-2-one;hydrochloride

C7H15ClN2O — CID 154851663

IUPAC(4R,5S)-4-amino-5-propan-2-ylpyrrolidin-2-one;hydrochloride
SMILESCC(C)[C@@H]1NC(=O)C[C@H]1N.Cl
InChIInChI=1S/C7H14N2O.ClH/c1-4(2)7-5(8)3-6(10)9-7;/h4-5,7H,3,8H2,1-2H3,(H,9,10);1H/t5-,7+;/m1./s1
InChIKeyBJOVMRPPWOJNNH-PACXSXMQSA-N
MW178.66 g/mol
LogP0.28
Rot. Bonds1

About (4R,5S)-4-amino-5-propan-2-ylpyrrolidin-2-one;hydrochloride

(4R,5S)-4-amino-5-propan-2-ylpyrrolidin-2-one;hydrochloride (PubChem CID 154851663) has the molecular formula C7H15ClN2O and a molecular weight of 178.66 g/mol. Its IUPAC name is (4R,5S)-4-amino-5-propan-2-ylpyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name(4R,5S)-4-amino-5-propan-2-ylpyrrolidin-2-one;hydrochloride
PubChem CID154851663
Molecular FormulaC7H15ClN2O
Molecular Weight178.66 g/mol
Exact Mass178.09
IUPAC Name(4R,5S)-4-amino-5-propan-2-ylpyrrolidin-2-one;hydrochloride
SMILESCC(C)[C@@H]1NC(=O)C[C@H]1N.Cl
InChIInChI=1S/C7H14N2O.ClH/c1-4(2)7-5(8)3-6(10)9-7;/h4-5,7H,3,8H2,1-2H3,(H,9,10);1H/t5-,7+;/m1./s1
InChIKeyBJOVMRPPWOJNNH-PACXSXMQSA-N
XLogP0.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.66
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-amino-5-propan-2-ylpyrrolidin-2-one;hydrochloride?
The IUPAC name of (4R,5S)-4-amino-5-propan-2-ylpyrrolidin-2-one;hydrochloride (CID 154851663) is (4R,5S)-4-amino-5-propan-2-ylpyrrolidin-2-one;hydrochloride.
What is the SMILES notation for (4R,5S)-4-amino-5-propan-2-ylpyrrolidin-2-one;hydrochloride?
The canonical SMILES for (4R,5S)-4-amino-5-propan-2-ylpyrrolidin-2-one;hydrochloride is CC(C)[C@@H]1NC(=O)C[C@H]1N.Cl.
What is the InChIKey of (4R,5S)-4-amino-5-propan-2-ylpyrrolidin-2-one;hydrochloride?
The InChIKey is BJOVMRPPWOJNNH-PACXSXMQSA-N. The full InChI is InChI=1S/C7H14N2O.ClH/c1-4(2)7-5(8)3-6(10)9-7;/h4-5,7H,3,8H2,1-2H3,(H,9,10);1H/t5-,7+;/m1./s1.
What are the key properties of (4R,5S)-4-amino-5-propan-2-ylpyrrolidin-2-one;hydrochloride?
(4R,5S)-4-amino-5-propan-2-ylpyrrolidin-2-one;hydrochloride has a molecular weight of 178.66 g/mol, XLogP of 0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-amino-5-propan-2-ylpyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 154851663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).