5-[(3R)-3-aminopyrrolidin-1-yl]-5-oxo-N-propylpentanamide;hydrochloride

C12H24ClN3O2 — CID 119412942

IUPAC5-[(3R)-3-aminopyrrolidin-1-yl]-5-oxo-N-propylpentanamide;hydrochloride
SMILESCCCNC(=O)CCCC(=O)N1CC[C@@H](N)C1.Cl
InChIInChI=1S/C12H23N3O2.ClH/c1-2-7-14-11(16)4-3-5-12(17)15-8-6-10(13)9-15;/h10H,2-9,13H2,1H3,(H,14,16);1H/t10-;/m1./s1
InChIKeyLCMVFTFQHZEBPY-HNCPQSOCSA-N
MW277.80 g/mol
LogP0.66
Rot. Bonds6

About 5-[(3R)-3-aminopyrrolidin-1-yl]-5-oxo-N-propylpentanamide;hydrochloride

5-[(3R)-3-aminopyrrolidin-1-yl]-5-oxo-N-propylpentanamide;hydrochloride (PubChem CID 119412942) has the molecular formula C12H24ClN3O2 and a molecular weight of 277.80 g/mol. Its IUPAC name is 5-[(3R)-3-aminopyrrolidin-1-yl]-5-oxo-N-propylpentanamide;hydrochloride.

Molecular Properties

Compound Name5-[(3R)-3-aminopyrrolidin-1-yl]-5-oxo-N-propylpentanamide;hydrochloride
PubChem CID119412942
Molecular FormulaC12H24ClN3O2
Molecular Weight277.80 g/mol
Exact Mass277.16
IUPAC Name5-[(3R)-3-aminopyrrolidin-1-yl]-5-oxo-N-propylpentanamide;hydrochloride
SMILESCCCNC(=O)CCCC(=O)N1CC[C@@H](N)C1.Cl
InChIInChI=1S/C12H23N3O2.ClH/c1-2-7-14-11(16)4-3-5-12(17)15-8-6-10(13)9-15;/h10H,2-9,13H2,1H3,(H,14,16);1H/t10-;/m1./s1
InChIKeyLCMVFTFQHZEBPY-HNCPQSOCSA-N
XLogP0.66
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-3-aminopyrrolidin-1-yl]pentan-1-one
CID 81469401
5-[4-(ethylaminomethyl)piperidin-1-yl]-5-oxo-N-propylpentanamide;hydrochloride
CID 119647811
5-[4-(methylaminomethyl)piperidin-1-yl]-5-oxo-N-propylpentanamide
CID 119546405
5-[4-(1-aminoethyl)piperidin-1-yl]-5-oxo-N-propylpentanamide
CID 119520390
1-(3-aminopyrrolidin-1-yl)dodecan-1-one
CID 65428474
5-(4-amino-3,3-dimethylpiperidin-1-yl)-5-oxo-N-propylpentanamide
CID 120816503
1-[(3R)-3-aminopyrrolidin-1-yl]-4-methylsulfanylbutan-1-one;hydrochloride
CID 119413508
1-[4-oxo-4-(propylamino)butanoyl]pyrrolidine-3-carboxylic acid
CID 119355311
1-[(3R)-3-aminopyrrolidin-1-yl]-4-methylsulfanylbutan-1-one
CID 119413509
1-[(3R)-3-aminopyrrolidin-1-yl]-3-butylsulfanylpropan-1-one
CID 119413529
1-[4-[(3R)-3-aminopyrrolidin-1-yl]-4-oxobutyl]-3-cyclohexylurea;hydrochloride
CID 119410465
5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-oxo-N-propylpentanamide;hydrochloride
CID 120806330

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-3-aminopyrrolidin-1-yl]-5-oxo-N-propylpentanamide;hydrochloride?
The IUPAC name of 5-[(3R)-3-aminopyrrolidin-1-yl]-5-oxo-N-propylpentanamide;hydrochloride (CID 119412942) is 5-[(3R)-3-aminopyrrolidin-1-yl]-5-oxo-N-propylpentanamide;hydrochloride.
What is the SMILES notation for 5-[(3R)-3-aminopyrrolidin-1-yl]-5-oxo-N-propylpentanamide;hydrochloride?
The canonical SMILES for 5-[(3R)-3-aminopyrrolidin-1-yl]-5-oxo-N-propylpentanamide;hydrochloride is CCCNC(=O)CCCC(=O)N1CC[C@@H](N)C1.Cl.
What is the InChIKey of 5-[(3R)-3-aminopyrrolidin-1-yl]-5-oxo-N-propylpentanamide;hydrochloride?
The InChIKey is LCMVFTFQHZEBPY-HNCPQSOCSA-N. The full InChI is InChI=1S/C12H23N3O2.ClH/c1-2-7-14-11(16)4-3-5-12(17)15-8-6-10(13)9-15;/h10H,2-9,13H2,1H3,(H,14,16);1H/t10-;/m1./s1.
What are the key properties of 5-[(3R)-3-aminopyrrolidin-1-yl]-5-oxo-N-propylpentanamide;hydrochloride?
5-[(3R)-3-aminopyrrolidin-1-yl]-5-oxo-N-propylpentanamide;hydrochloride has a molecular weight of 277.80 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-3-aminopyrrolidin-1-yl]-5-oxo-N-propylpentanamide;hydrochloride is sourced from PubChem (CID 119412942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).