3-amino-4-(3,4-dimethylpyrrolidin-1-yl)-4-oxobutanamide;hydrochloride

C10H20ClN3O2 — CID 119957492

IUPAC3-amino-4-(3,4-dimethylpyrrolidin-1-yl)-4-oxobutanamide;hydrochloride
SMILESCC1CN(C(=O)C(N)CC(N)=O)CC1C.Cl
InChIInChI=1S/C10H19N3O2.ClH/c1-6-4-13(5-7(6)2)10(15)8(11)3-9(12)14;/h6-8H,3-5,11H2,1-2H3,(H2,12,14);1H
InChIKeyPNJKXOXQHAUFJS-UHFFFAOYSA-N
MW249.74 g/mol
LogP-0.27
Rot. Bonds3

About 3-amino-4-(3,4-dimethylpyrrolidin-1-yl)-4-oxobutanamide;hydrochloride

3-amino-4-(3,4-dimethylpyrrolidin-1-yl)-4-oxobutanamide;hydrochloride (PubChem CID 119957492) has the molecular formula C10H20ClN3O2 and a molecular weight of 249.74 g/mol. Its IUPAC name is 3-amino-4-(3,4-dimethylpyrrolidin-1-yl)-4-oxobutanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-4-(3,4-dimethylpyrrolidin-1-yl)-4-oxobutanamide;hydrochloride
PubChem CID119957492
Molecular FormulaC10H20ClN3O2
Molecular Weight249.74 g/mol
Exact Mass249.12
IUPAC Name3-amino-4-(3,4-dimethylpyrrolidin-1-yl)-4-oxobutanamide;hydrochloride
SMILESCC1CN(C(=O)C(N)CC(N)=O)CC1C.Cl
InChIInChI=1S/C10H19N3O2.ClH/c1-6-4-13(5-7(6)2)10(15)8(11)3-9(12)14;/h6-8H,3-5,11H2,1-2H3,(H2,12,14);1H
InChIKeyPNJKXOXQHAUFJS-UHFFFAOYSA-N
XLogP-0.27
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-amino-4-oxobutanamide;hydrochloride
CID 119957439
1-(2,4-diamino-4-oxobutanoyl)azetidine-3-carboxylic acid
CID 79309421
2-amino-1-(3,4-dimethylpyrrolidin-1-yl)pentan-1-one
CID 79181119
2-amino-1-(3,4-dimethylpyrrolidin-1-yl)propan-1-one
CID 79181117
(2R)-2-amino-1-(3,4-dimethylpyrrolidin-1-yl)propan-1-one
CID 79180602
3-amino-4-(4-tert-butylpiperidin-1-yl)-4-oxobutanamide;hydrochloride
CID 119957116
3-amino-4-oxo-4-(4-propan-2-ylazepan-1-yl)butanamide;hydrochloride
CID 119957428
(3S,4S)-1-[(2S)-2-amino-4-methylpentanoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 98540017
1-(2-amino-4-methylpentanoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63720387
2-amino-1-(3,4-dimethylpyrrolidin-1-yl)-3-methylbutan-1-one
CID 79180939
4-(2,4-diamino-4-oxobutanoyl)-N,N-diethylpiperazine-1-carboxamide;hydrochloride
CID 119956526
3-amino-4-(2,4-dimethylpiperazin-1-yl)-4-oxobutanamide
CID 103827811

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(3,4-dimethylpyrrolidin-1-yl)-4-oxobutanamide;hydrochloride?
The IUPAC name of 3-amino-4-(3,4-dimethylpyrrolidin-1-yl)-4-oxobutanamide;hydrochloride (CID 119957492) is 3-amino-4-(3,4-dimethylpyrrolidin-1-yl)-4-oxobutanamide;hydrochloride.
What is the SMILES notation for 3-amino-4-(3,4-dimethylpyrrolidin-1-yl)-4-oxobutanamide;hydrochloride?
The canonical SMILES for 3-amino-4-(3,4-dimethylpyrrolidin-1-yl)-4-oxobutanamide;hydrochloride is CC1CN(C(=O)C(N)CC(N)=O)CC1C.Cl.
What is the InChIKey of 3-amino-4-(3,4-dimethylpyrrolidin-1-yl)-4-oxobutanamide;hydrochloride?
The InChIKey is PNJKXOXQHAUFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2.ClH/c1-6-4-13(5-7(6)2)10(15)8(11)3-9(12)14;/h6-8H,3-5,11H2,1-2H3,(H2,12,14);1H.
What are the key properties of 3-amino-4-(3,4-dimethylpyrrolidin-1-yl)-4-oxobutanamide;hydrochloride?
3-amino-4-(3,4-dimethylpyrrolidin-1-yl)-4-oxobutanamide;hydrochloride has a molecular weight of 249.74 g/mol, XLogP of -0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(3,4-dimethylpyrrolidin-1-yl)-4-oxobutanamide;hydrochloride is sourced from PubChem (CID 119957492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).