N-[(2S)-1-aminopropan-2-yl]-5-oxo-1-pentan-2-ylpyrrolidine-3-carboxamide;hydrochloride

C13H26ClN3O2 — CID 120506404

IUPACN-[(2S)-1-aminopropan-2-yl]-5-oxo-1-pentan-2-ylpyrrolidine-3-carboxamide;hydrochloride
SMILESCCCC(C)N1CC(C(=O)N[C@@H](C)CN)CC1=O.Cl
InChIInChI=1S/C13H25N3O2.ClH/c1-4-5-10(3)16-8-11(6-12(16)17)13(18)15-9(2)7-14;/h9-11H,4-8,14H2,1-3H3,(H,15,18);1H/t9-,10?,11?;/m0./s1
InChIKeyDLLIHTVGBPKQJV-IGUXDCQPSA-N
MW291.82 g/mol
LogP0.91
Rot. Bonds6

About N-[(2S)-1-aminopropan-2-yl]-5-oxo-1-pentan-2-ylpyrrolidine-3-carboxamide;hydrochloride

N-[(2S)-1-aminopropan-2-yl]-5-oxo-1-pentan-2-ylpyrrolidine-3-carboxamide;hydrochloride (PubChem CID 120506404) has the molecular formula C13H26ClN3O2 and a molecular weight of 291.82 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-5-oxo-1-pentan-2-ylpyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-5-oxo-1-pentan-2-ylpyrrolidine-3-carboxamide;hydrochloride
PubChem CID120506404
Molecular FormulaC13H26ClN3O2
Molecular Weight291.82 g/mol
Exact Mass291.17
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-5-oxo-1-pentan-2-ylpyrrolidine-3-carboxamide;hydrochloride
SMILESCCCC(C)N1CC(C(=O)N[C@@H](C)CN)CC1=O.Cl
InChIInChI=1S/C13H25N3O2.ClH/c1-4-5-10(3)16-8-11(6-12(16)17)13(18)15-9(2)7-14;/h9-11H,4-8,14H2,1-3H3,(H,15,18);1H/t9-,10?,11?;/m0./s1
InChIKeyDLLIHTVGBPKQJV-IGUXDCQPSA-N
XLogP0.91
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-1-aminopropan-2-yl]-5-oxo-1-pentan-2-ylpyrrolidine-3-carboxamide;hydrochloride with MolForge

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Related Compounds

(3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N-[(2S)-pentan-2-yl]pyrrolidine-3-carboxamide
CID 9365235
N-(1-amino-2,4-dimethylpentan-2-yl)-5-oxo-1-pentan-2-ylpyrrolidine-3-carboxamide
CID 119599238
N-(6-amino-3-pyridinyl)-5-oxo-1-pentan-2-ylpyrrolidine-3-carboxamide
CID 119515944
5-oxo-1-pentan-2-yl-N-piperidin-3-ylpyrrolidine-3-carboxamide
CID 119427312
N-[(2S)-1-aminopropan-2-yl]-1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide;dihydrochloride
CID 120507176
2-[(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 119349166
1-butan-2-yl-5-oxopyrrolidine-3-carboxylic acid
CID 4777950
N-[(2R)-1-aminopropan-2-yl]-1-methylpyrrolidine-3-carboxamide
CID 104877076
2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 43355333
(3S)-N-[(2R)-butan-2-yl]-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 9398572
1-(3,5-dimethylphenyl)-5-oxo-N-pentan-2-ylpyrrolidine-3-carboxamide
CID 17120866
2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]acetic acid
CID 43170550

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-5-oxo-1-pentan-2-ylpyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-5-oxo-1-pentan-2-ylpyrrolidine-3-carboxamide;hydrochloride (CID 120506404) is N-[(2S)-1-aminopropan-2-yl]-5-oxo-1-pentan-2-ylpyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-5-oxo-1-pentan-2-ylpyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-5-oxo-1-pentan-2-ylpyrrolidine-3-carboxamide;hydrochloride is CCCC(C)N1CC(C(=O)N[C@@H](C)CN)CC1=O.Cl.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-5-oxo-1-pentan-2-ylpyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is DLLIHTVGBPKQJV-IGUXDCQPSA-N. The full InChI is InChI=1S/C13H25N3O2.ClH/c1-4-5-10(3)16-8-11(6-12(16)17)13(18)15-9(2)7-14;/h9-11H,4-8,14H2,1-3H3,(H,15,18);1H/t9-,10?,11?;/m0./s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-5-oxo-1-pentan-2-ylpyrrolidine-3-carboxamide;hydrochloride?
N-[(2S)-1-aminopropan-2-yl]-5-oxo-1-pentan-2-ylpyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 291.82 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-5-oxo-1-pentan-2-ylpyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120506404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).