(2S)-2-amino-1-pyrrolidin-1-ylpropan-1-one;hydrochloride

C7H15ClN2O — CID 22844332

IUPAC(2S)-2-amino-1-pyrrolidin-1-ylpropan-1-one;hydrochloride
SMILESC[C@H](N)C(=O)N1CCCC1.Cl
InChIInChI=1S/C7H14N2O.ClH/c1-6(8)7(10)9-4-2-3-5-9;/h6H,2-5,8H2,1H3;1H/t6-;/m0./s1
InChIKeyVVNNTHQEKBSDAG-RGMNGODLSA-N
MW178.66 g/mol
LogP0.38
Rot. Bonds1

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

(2S)-2-amino-1-pyrrolidin-1-ylpropan-1-one;hydrochloride (PubChem CID 22844332) has the molecular formula C7H15ClN2O and a molecular weight of 178.66 g/mol. Its IUPAC name is (2S)-2-amino-1-pyrrolidin-1-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-1-pyrrolidin-1-ylpropan-1-one;hydrochloride
PubChem CID22844332
Molecular FormulaC7H15ClN2O
Molecular Weight178.66 g/mol
Exact Mass178.09
IUPAC Name(2S)-2-amino-1-pyrrolidin-1-ylpropan-1-one;hydrochloride
SMILESC[C@H](N)C(=O)N1CCCC1.Cl
InChIInChI=1S/C7H14N2O.ClH/c1-6(8)7(10)9-4-2-3-5-9;/h6H,2-5,8H2,1H3;1H/t6-;/m0./s1
InChIKeyVVNNTHQEKBSDAG-RGMNGODLSA-N
XLogP0.38
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.66
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-pyrrolidin-1-ylpropan-1-one;hydrochloride?
The IUPAC name of (2S)-2-amino-1-pyrrolidin-1-ylpropan-1-one;hydrochloride (CID 22844332) is (2S)-2-amino-1-pyrrolidin-1-ylpropan-1-one;hydrochloride.
What is the SMILES notation for (2S)-2-amino-1-pyrrolidin-1-ylpropan-1-one;hydrochloride?
The canonical SMILES for (2S)-2-amino-1-pyrrolidin-1-ylpropan-1-one;hydrochloride is C[C@H](N)C(=O)N1CCCC1.Cl.
What is the InChIKey of (2S)-2-amino-1-pyrrolidin-1-ylpropan-1-one;hydrochloride?
The InChIKey is VVNNTHQEKBSDAG-RGMNGODLSA-N. The full InChI is InChI=1S/C7H14N2O.ClH/c1-6(8)7(10)9-4-2-3-5-9;/h6H,2-5,8H2,1H3;1H/t6-;/m0./s1.
What are the key properties of (2S)-2-amino-1-pyrrolidin-1-ylpropan-1-one;hydrochloride?
(2S)-2-amino-1-pyrrolidin-1-ylpropan-1-one;hydrochloride has a molecular weight of 178.66 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-pyrrolidin-1-ylpropan-1-one;hydrochloride is sourced from PubChem (CID 22844332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).