N-[2-[(3R)-3-aminopyrrolidin-1-yl]-1-cyclopentyl-2-oxoethyl]acetamide;hydrochloride

C13H24ClN3O2 — CID 119409783

IUPACN-[2-[(3R)-3-aminopyrrolidin-1-yl]-1-cyclopentyl-2-oxoethyl]acetamide;hydrochloride
SMILESCC(=O)NC(C(=O)N1CC[C@@H](N)C1)C1CCCC1.Cl
InChIInChI=1S/C13H23N3O2.ClH/c1-9(17)15-12(10-4-2-3-5-10)13(18)16-7-6-11(14)8-16;/h10-12H,2-8,14H2,1H3,(H,15,17);1H/t11-,12?;/m1./s1
InChIKeyQAJRNHRXQRAQHA-BAVFUAOSSA-N
MW289.81 g/mol
LogP0.66
Rot. Bonds3

About N-[2-[(3R)-3-aminopyrrolidin-1-yl]-1-cyclopentyl-2-oxoethyl]acetamide;hydrochloride

N-[2-[(3R)-3-aminopyrrolidin-1-yl]-1-cyclopentyl-2-oxoethyl]acetamide;hydrochloride (PubChem CID 119409783) has the molecular formula C13H24ClN3O2 and a molecular weight of 289.81 g/mol. Its IUPAC name is N-[2-[(3R)-3-aminopyrrolidin-1-yl]-1-cyclopentyl-2-oxoethyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[(3R)-3-aminopyrrolidin-1-yl]-1-cyclopentyl-2-oxoethyl]acetamide;hydrochloride
PubChem CID119409783
Molecular FormulaC13H24ClN3O2
Molecular Weight289.81 g/mol
Exact Mass289.16
IUPAC NameN-[2-[(3R)-3-aminopyrrolidin-1-yl]-1-cyclopentyl-2-oxoethyl]acetamide;hydrochloride
SMILESCC(=O)NC(C(=O)N1CC[C@@H](N)C1)C1CCCC1.Cl
InChIInChI=1S/C13H23N3O2.ClH/c1-9(17)15-12(10-4-2-3-5-10)13(18)16-7-6-11(14)8-16;/h10-12H,2-8,14H2,1H3,(H,15,17);1H/t11-,12?;/m1./s1
InChIKeyQAJRNHRXQRAQHA-BAVFUAOSSA-N
XLogP0.66
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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(3R)-1-[(2R)-2-acetamido-2-cyclopentylacetyl]-N-cyclohexylpiperidine-3-carboxamide
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N-[1-cyclopentyl-2-[4-(4-hydroxyphenyl)piperidin-1-yl]-2-oxoethyl]acetamide
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(2S)-2-acetamido-2-cyclopentylacetamide
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N-[(1S)-1-cyclopentyl-2-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-oxoethyl]acetamide
CID 95313828
1-[(3R)-3-aminopyrrolidin-1-yl]ethanone;dihydrochloride
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1-[(3R)-3-aminopyrrolidin-1-yl]-2-cyclopropylpropan-1-one
CID 81469316
methyl 2-acetamido-2-(1-methylpiperidin-3-yl)acetate
CID 116860649
N-[(1S)-1-cyclopentyl-2-[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-2-oxoethyl]acetamide
CID 95736974
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(cyclopentylmethyl)pentan-1-one
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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R)-3-aminopyrrolidin-1-yl]-1-cyclopentyl-2-oxoethyl]acetamide;hydrochloride?
The IUPAC name of N-[2-[(3R)-3-aminopyrrolidin-1-yl]-1-cyclopentyl-2-oxoethyl]acetamide;hydrochloride (CID 119409783) is N-[2-[(3R)-3-aminopyrrolidin-1-yl]-1-cyclopentyl-2-oxoethyl]acetamide;hydrochloride.
What is the SMILES notation for N-[2-[(3R)-3-aminopyrrolidin-1-yl]-1-cyclopentyl-2-oxoethyl]acetamide;hydrochloride?
The canonical SMILES for N-[2-[(3R)-3-aminopyrrolidin-1-yl]-1-cyclopentyl-2-oxoethyl]acetamide;hydrochloride is CC(=O)NC(C(=O)N1CC[C@@H](N)C1)C1CCCC1.Cl.
What is the InChIKey of N-[2-[(3R)-3-aminopyrrolidin-1-yl]-1-cyclopentyl-2-oxoethyl]acetamide;hydrochloride?
The InChIKey is QAJRNHRXQRAQHA-BAVFUAOSSA-N. The full InChI is InChI=1S/C13H23N3O2.ClH/c1-9(17)15-12(10-4-2-3-5-10)13(18)16-7-6-11(14)8-16;/h10-12H,2-8,14H2,1H3,(H,15,17);1H/t11-,12?;/m1./s1.
What are the key properties of N-[2-[(3R)-3-aminopyrrolidin-1-yl]-1-cyclopentyl-2-oxoethyl]acetamide;hydrochloride?
N-[2-[(3R)-3-aminopyrrolidin-1-yl]-1-cyclopentyl-2-oxoethyl]acetamide;hydrochloride has a molecular weight of 289.81 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R)-3-aminopyrrolidin-1-yl]-1-cyclopentyl-2-oxoethyl]acetamide;hydrochloride is sourced from PubChem (CID 119409783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).