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

C6H14Cl2N2O — CID 154577426

IUPAC1-[(3R)-3-aminopyrrolidin-1-yl]ethanone;dihydrochloride
SMILESCC(=O)N1CC[C@@H](N)C1.Cl.Cl
InChIInChI=1S/C6H12N2O.2ClH/c1-5(9)8-3-2-6(7)4-8;;/h6H,2-4,7H2,1H3;2*1H/t6-;;/m1../s1
InChIKeyMDJUWYXENKZXCU-QYCVXMPOSA-N
MW201.10 g/mol
LogP0.41
Rot. Bonds

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

1-[(3R)-3-aminopyrrolidin-1-yl]ethanone;dihydrochloride (PubChem CID 154577426) has the molecular formula C6H14Cl2N2O and a molecular weight of 201.10 g/mol. Its IUPAC name is 1-[(3R)-3-aminopyrrolidin-1-yl]ethanone;dihydrochloride.

Molecular Properties

Compound Name1-[(3R)-3-aminopyrrolidin-1-yl]ethanone;dihydrochloride
PubChem CID154577426
Molecular FormulaC6H14Cl2N2O
Molecular Weight201.10 g/mol
Exact Mass200.05
IUPAC Name1-[(3R)-3-aminopyrrolidin-1-yl]ethanone;dihydrochloride
SMILESCC(=O)N1CC[C@@H](N)C1.Cl.Cl
InChIInChI=1S/C6H12N2O.2ClH/c1-5(9)8-3-2-6(7)4-8;;/h6H,2-4,7H2,1H3;2*1H/t6-;;/m1../s1
InChIKeyMDJUWYXENKZXCU-QYCVXMPOSA-N
XLogP0.41
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.10
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-aminopiperidin-1-yl)ethanone;ethane
CID 142912103
1-[4-[(3S)-3-aminopyrrolidin-1-yl]piperidin-1-yl]ethanone
CID 129406555
1-(4-amino-3-methylpiperidin-1-yl)ethanone;hydrochloride
CID 71757060
(3S)-3-aminopyrrolidine-1-carboxamide
CID 59841091
(3R)-3-aminopyrrolidine-1-carboxylic acid
CID 15336894
1-(4-aminopiperidin-1-yl)ethanone;pentane
CID 142969821
1-[(3S)-3-(iodomethyl)pyrrolidin-1-yl]ethanone
CID 96555506
1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
CID 55267746
1-(3-methylbuta-1,3-dien-2-yl)pyrrolidin-3-amine
CID 123361966
1-[(3R)-3-(methylamino)pyrrolidin-1-yl]ethanone;hydrochloride
CID 172646265
3-amino-1-(3-aminopyrrolidin-1-yl)-3-methylbutan-1-one;hydrochloride
CID 130609463
3-amino-1-[(3R)-3-aminopyrrolidin-1-yl]-3-methylbutan-1-one;hydrochloride
CID 131176631

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-aminopyrrolidin-1-yl]ethanone;dihydrochloride?
The IUPAC name of 1-[(3R)-3-aminopyrrolidin-1-yl]ethanone;dihydrochloride (CID 154577426) is 1-[(3R)-3-aminopyrrolidin-1-yl]ethanone;dihydrochloride.
What is the SMILES notation for 1-[(3R)-3-aminopyrrolidin-1-yl]ethanone;dihydrochloride?
The canonical SMILES for 1-[(3R)-3-aminopyrrolidin-1-yl]ethanone;dihydrochloride is CC(=O)N1CC[C@@H](N)C1.Cl.Cl.
What is the InChIKey of 1-[(3R)-3-aminopyrrolidin-1-yl]ethanone;dihydrochloride?
The InChIKey is MDJUWYXENKZXCU-QYCVXMPOSA-N. The full InChI is InChI=1S/C6H12N2O.2ClH/c1-5(9)8-3-2-6(7)4-8;;/h6H,2-4,7H2,1H3;2*1H/t6-;;/m1../s1.
What are the key properties of 1-[(3R)-3-aminopyrrolidin-1-yl]ethanone;dihydrochloride?
1-[(3R)-3-aminopyrrolidin-1-yl]ethanone;dihydrochloride has a molecular weight of 201.10 g/mol, XLogP of 0.41, 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;dihydrochloride is sourced from PubChem (CID 154577426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).