2-[(3R)-3-aminopyrrolidin-1-yl]-N-(cyclopenten-1-yl)-N-methylacetamide

C12H21N3O — CID 94340550

IUPAC2-[(3R)-3-aminopyrrolidin-1-yl]-N-(cyclopenten-1-yl)-N-methylacetamide
SMILESCN(C(=O)CN1CC[C@@H](N)C1)C1=CCCC1
InChIInChI=1S/C12H21N3O/c1-14(11-4-2-3-5-11)12(16)9-15-7-6-10(13)8-15/h4,10H,2-3,5-9,13H2,1H3/t10-/m1/s1
InChIKeyVSKLPLLWVZYPOF-SNVBAGLBSA-N
MW223.32 g/mol
LogP0.55
Rot. Bonds3

About 2-[(3R)-3-aminopyrrolidin-1-yl]-N-(cyclopenten-1-yl)-N-methylacetamide

2-[(3R)-3-aminopyrrolidin-1-yl]-N-(cyclopenten-1-yl)-N-methylacetamide (PubChem CID 94340550) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[(3R)-3-aminopyrrolidin-1-yl]-N-(cyclopenten-1-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-[(3R)-3-aminopyrrolidin-1-yl]-N-(cyclopenten-1-yl)-N-methylacetamide
PubChem CID94340550
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-[(3R)-3-aminopyrrolidin-1-yl]-N-(cyclopenten-1-yl)-N-methylacetamide
SMILESCN(C(=O)CN1CC[C@@H](N)C1)C1=CCCC1
InChIInChI=1S/C12H21N3O/c1-14(11-4-2-3-5-11)12(16)9-15-7-6-10(13)8-15/h4,10H,2-3,5-9,13H2,1H3/t10-/m1/s1
InChIKeyVSKLPLLWVZYPOF-SNVBAGLBSA-N
XLogP0.55
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopenten-1-yl)-2-(4-hydroxy-3-methylpiperidin-1-yl)-N-methylacetamide
CID 114681463
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide
CID 115302497
2-(3-aminoazetidin-1-yl)-N-(cyclopenten-1-yl)-N-ethylacetamide
CID 79005108
N-(cyclopenten-1-yl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methylacetamide
CID 55076318
methyl (2R)-1-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate
CID 115371337
2-bromo-N-(cyclopenten-1-yl)-N-methylacetamide
CID 81222619
N-(cyclopenten-1-yl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylacetamide
CID 81219227
2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-N-(cyclopenten-1-yl)-N-methylacetamide
CID 102681815
2-(3-amino-5-methylpiperidin-1-yl)-N-(cyclopenten-1-yl)-N-ethylacetamide
CID 79994189
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(cyclopenten-1-yl)-N-ethylacetamide
CID 78955983
2-[(3S)-3-aminopyrrolidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 81491532
2-[(3S)-3-aminopyrrolidin-1-yl]-N,N-diethylacetamide
CID 115302487

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-aminopyrrolidin-1-yl]-N-(cyclopenten-1-yl)-N-methylacetamide?
The IUPAC name of 2-[(3R)-3-aminopyrrolidin-1-yl]-N-(cyclopenten-1-yl)-N-methylacetamide (CID 94340550) is 2-[(3R)-3-aminopyrrolidin-1-yl]-N-(cyclopenten-1-yl)-N-methylacetamide.
What is the SMILES notation for 2-[(3R)-3-aminopyrrolidin-1-yl]-N-(cyclopenten-1-yl)-N-methylacetamide?
The canonical SMILES for 2-[(3R)-3-aminopyrrolidin-1-yl]-N-(cyclopenten-1-yl)-N-methylacetamide is CN(C(=O)CN1CC[C@@H](N)C1)C1=CCCC1.
What is the InChIKey of 2-[(3R)-3-aminopyrrolidin-1-yl]-N-(cyclopenten-1-yl)-N-methylacetamide?
The InChIKey is VSKLPLLWVZYPOF-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H21N3O/c1-14(11-4-2-3-5-11)12(16)9-15-7-6-10(13)8-15/h4,10H,2-3,5-9,13H2,1H3/t10-/m1/s1.
What are the key properties of 2-[(3R)-3-aminopyrrolidin-1-yl]-N-(cyclopenten-1-yl)-N-methylacetamide?
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(cyclopenten-1-yl)-N-methylacetamide has a molecular weight of 223.32 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-aminopyrrolidin-1-yl]-N-(cyclopenten-1-yl)-N-methylacetamide is sourced from PubChem (CID 94340550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).