1-[(3R)-3-aminopyrrolidin-1-yl]ethanone;hydrochloride

C6H13ClN2O — CID 53256078

IUPAC1-[(3R)-3-aminopyrrolidin-1-yl]ethanone;hydrochloride
SMILESCC(=O)N1CC[C@@H](N)C1.Cl
InChIInChI=1S/C6H12N2O.ClH/c1-5(9)8-3-2-6(7)4-8;/h6H,2-4,7H2,1H3;1H/t6-;/m1./s1
InChIKeyNDNGPRLTQNOAMC-FYZOBXCZSA-N
MW164.64 g/mol
LogP-0.01
Rot. Bonds

About 1-[(3R)-3-aminopyrrolidin-1-yl]ethanone;hydrochloride

1-[(3R)-3-aminopyrrolidin-1-yl]ethanone;hydrochloride (PubChem CID 53256078) has the molecular formula C6H13ClN2O and a molecular weight of 164.64 g/mol. Its IUPAC name is 1-[(3R)-3-aminopyrrolidin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-[(3R)-3-aminopyrrolidin-1-yl]ethanone;hydrochloride
PubChem CID53256078
Molecular FormulaC6H13ClN2O
Molecular Weight164.64 g/mol
Exact Mass164.07
IUPAC Name1-[(3R)-3-aminopyrrolidin-1-yl]ethanone;hydrochloride
SMILESCC(=O)N1CC[C@@H](N)C1.Cl
InChIInChI=1S/C6H12N2O.ClH/c1-5(9)8-3-2-6(7)4-8;/h6H,2-4,7H2,1H3;1H/t6-;/m1./s1
InChIKeyNDNGPRLTQNOAMC-FYZOBXCZSA-N
XLogP-0.01
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.64
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-aminopyrrolidin-1-yl]ethanone;hydrochloride?
The IUPAC name of 1-[(3R)-3-aminopyrrolidin-1-yl]ethanone;hydrochloride (CID 53256078) is 1-[(3R)-3-aminopyrrolidin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 1-[(3R)-3-aminopyrrolidin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 1-[(3R)-3-aminopyrrolidin-1-yl]ethanone;hydrochloride is CC(=O)N1CC[C@@H](N)C1.Cl.
What is the InChIKey of 1-[(3R)-3-aminopyrrolidin-1-yl]ethanone;hydrochloride?
The InChIKey is NDNGPRLTQNOAMC-FYZOBXCZSA-N. The full InChI is InChI=1S/C6H12N2O.ClH/c1-5(9)8-3-2-6(7)4-8;/h6H,2-4,7H2,1H3;1H/t6-;/m1./s1.
What are the key properties of 1-[(3R)-3-aminopyrrolidin-1-yl]ethanone;hydrochloride?
1-[(3R)-3-aminopyrrolidin-1-yl]ethanone;hydrochloride has a molecular weight of 164.64 g/mol, XLogP of -0.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-aminopyrrolidin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 53256078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).