3-amino-1-[(3R)-3-aminopyrrolidin-1-yl]-3-methylbutan-1-one;hydrochloride

C9H20ClN3O — CID 131176631

IUPAC3-amino-1-[(3R)-3-aminopyrrolidin-1-yl]-3-methylbutan-1-one;hydrochloride
SMILESCC(C)(N)CC(=O)N1CC[C@@H](N)C1.Cl
InChIInChI=1S/C9H19N3O.ClH/c1-9(2,11)5-8(13)12-4-3-7(10)6-12;/h7H,3-6,10-11H2,1-2H3;1H/t7-;/m1./s1
InChIKeyZQLKXZXHKSOZTD-OGFXRTJISA-N
MW221.73 g/mol
LogP0.10
Rot. Bonds2

About 3-amino-1-[(3R)-3-aminopyrrolidin-1-yl]-3-methylbutan-1-one;hydrochloride

3-amino-1-[(3R)-3-aminopyrrolidin-1-yl]-3-methylbutan-1-one;hydrochloride (PubChem CID 131176631) has the molecular formula C9H20ClN3O and a molecular weight of 221.73 g/mol. Its IUPAC name is 3-amino-1-[(3R)-3-aminopyrrolidin-1-yl]-3-methylbutan-1-one;hydrochloride.

Molecular Properties

Compound Name3-amino-1-[(3R)-3-aminopyrrolidin-1-yl]-3-methylbutan-1-one;hydrochloride
PubChem CID131176631
Molecular FormulaC9H20ClN3O
Molecular Weight221.73 g/mol
Exact Mass221.13
IUPAC Name3-amino-1-[(3R)-3-aminopyrrolidin-1-yl]-3-methylbutan-1-one;hydrochloride
SMILESCC(C)(N)CC(=O)N1CC[C@@H](N)C1.Cl
InChIInChI=1S/C9H19N3O.ClH/c1-9(2,11)5-8(13)12-4-3-7(10)6-12;/h7H,3-6,10-11H2,1-2H3;1H/t7-;/m1./s1
InChIKeyZQLKXZXHKSOZTD-OGFXRTJISA-N
XLogP0.10
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(3-aminopyrrolidin-1-yl)-3-methylbutan-1-one;hydrochloride
CID 130609463
3-amino-1-(3-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one
CID 64679140
1-(3-aminopyrrolidin-1-yl)-3-methoxy-3-methylbutan-1-one
CID 103021399
3-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 64683995
1-[(3S)-3-aminopyrrolidin-1-yl]-3,4,4-trimethylpentan-1-one;hydrochloride
CID 119934172
3-amino-1-(4-tert-butylpiperidin-1-yl)-3-methylbutan-1-one
CID 64678846
3-amino-3-methyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)butan-1-one
CID 64678059
1-(3-amino-3-methylbutanoyl)piperidine-4-carboxamide
CID 64683539
1-[(3R)-3-aminopyrrolidin-1-yl]ethanone;dihydrochloride
CID 154577426
3-amino-3-methyl-1-(4-methylazepan-1-yl)butan-1-one
CID 64677870
1-(3-aminopiperidin-1-yl)-3-methoxy-3-methylbutan-1-one
CID 103017160
1-[(3R)-3-aminopyrrolidin-1-yl]pentan-1-one
CID 81469401

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(3R)-3-aminopyrrolidin-1-yl]-3-methylbutan-1-one;hydrochloride?
The IUPAC name of 3-amino-1-[(3R)-3-aminopyrrolidin-1-yl]-3-methylbutan-1-one;hydrochloride (CID 131176631) is 3-amino-1-[(3R)-3-aminopyrrolidin-1-yl]-3-methylbutan-1-one;hydrochloride.
What is the SMILES notation for 3-amino-1-[(3R)-3-aminopyrrolidin-1-yl]-3-methylbutan-1-one;hydrochloride?
The canonical SMILES for 3-amino-1-[(3R)-3-aminopyrrolidin-1-yl]-3-methylbutan-1-one;hydrochloride is CC(C)(N)CC(=O)N1CC[C@@H](N)C1.Cl.
What is the InChIKey of 3-amino-1-[(3R)-3-aminopyrrolidin-1-yl]-3-methylbutan-1-one;hydrochloride?
The InChIKey is ZQLKXZXHKSOZTD-OGFXRTJISA-N. The full InChI is InChI=1S/C9H19N3O.ClH/c1-9(2,11)5-8(13)12-4-3-7(10)6-12;/h7H,3-6,10-11H2,1-2H3;1H/t7-;/m1./s1.
What are the key properties of 3-amino-1-[(3R)-3-aminopyrrolidin-1-yl]-3-methylbutan-1-one;hydrochloride?
3-amino-1-[(3R)-3-aminopyrrolidin-1-yl]-3-methylbutan-1-one;hydrochloride has a molecular weight of 221.73 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(3R)-3-aminopyrrolidin-1-yl]-3-methylbutan-1-one;hydrochloride is sourced from PubChem (CID 131176631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).