2-amino-1-(3-amino-2-methylpyrrolidin-1-yl)ethanone;hydrochloride

C7H16ClN3O — CID 130686037

IUPAC2-amino-1-(3-amino-2-methylpyrrolidin-1-yl)ethanone;hydrochloride
SMILESCC1C(N)CCN1C(=O)CN.Cl
InChIInChI=1S/C7H15N3O.ClH/c1-5-6(9)2-3-10(5)7(11)4-8;/h5-6H,2-4,8-9H2,1H3;1H
InChIKeyYAVHVSSGJJIMCQ-UHFFFAOYSA-N
MW193.68 g/mol
LogP-0.69
Rot. Bonds1

About 2-amino-1-(3-amino-2-methylpyrrolidin-1-yl)ethanone;hydrochloride

2-amino-1-(3-amino-2-methylpyrrolidin-1-yl)ethanone;hydrochloride (PubChem CID 130686037) has the molecular formula C7H16ClN3O and a molecular weight of 193.68 g/mol. Its IUPAC name is 2-amino-1-(3-amino-2-methylpyrrolidin-1-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-amino-1-(3-amino-2-methylpyrrolidin-1-yl)ethanone;hydrochloride
PubChem CID130686037
Molecular FormulaC7H16ClN3O
Molecular Weight193.68 g/mol
Exact Mass193.10
IUPAC Name2-amino-1-(3-amino-2-methylpyrrolidin-1-yl)ethanone;hydrochloride
SMILESCC1C(N)CCN1C(=O)CN.Cl
InChIInChI=1S/C7H15N3O.ClH/c1-5-6(9)2-3-10(5)7(11)4-8;/h5-6H,2-4,8-9H2,1H3;1H
InChIKeyYAVHVSSGJJIMCQ-UHFFFAOYSA-N
XLogP-0.69
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.68
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-amino-2-methylpyrrolidin-1-yl)ethanone;hydrochloride?
The IUPAC name of 2-amino-1-(3-amino-2-methylpyrrolidin-1-yl)ethanone;hydrochloride (CID 130686037) is 2-amino-1-(3-amino-2-methylpyrrolidin-1-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-amino-1-(3-amino-2-methylpyrrolidin-1-yl)ethanone;hydrochloride?
The canonical SMILES for 2-amino-1-(3-amino-2-methylpyrrolidin-1-yl)ethanone;hydrochloride is CC1C(N)CCN1C(=O)CN.Cl.
What is the InChIKey of 2-amino-1-(3-amino-2-methylpyrrolidin-1-yl)ethanone;hydrochloride?
The InChIKey is YAVHVSSGJJIMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O.ClH/c1-5-6(9)2-3-10(5)7(11)4-8;/h5-6H,2-4,8-9H2,1H3;1H.
What are the key properties of 2-amino-1-(3-amino-2-methylpyrrolidin-1-yl)ethanone;hydrochloride?
2-amino-1-(3-amino-2-methylpyrrolidin-1-yl)ethanone;hydrochloride has a molecular weight of 193.68 g/mol, XLogP of -0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-amino-2-methylpyrrolidin-1-yl)ethanone;hydrochloride is sourced from PubChem (CID 130686037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).