2-[1-(3-aminocyclopentanecarbonyl)pyrrolidin-2-yl]acetic acid

C12H20N2O3 — CID 66010040

IUPAC2-[1-(3-aminocyclopentanecarbonyl)pyrrolidin-2-yl]acetic acid
SMILESNC1CCC(C(=O)N2CCCC2CC(=O)O)C1
InChIInChI=1S/C12H20N2O3/c13-9-4-3-8(6-9)12(17)14-5-1-2-10(14)7-11(15)16/h8-10H,1-7,13H2,(H,15,16)
InChIKeyCDDXYKKNELOPID-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.58
Rot. Bonds3

About 2-[1-(3-aminocyclopentanecarbonyl)pyrrolidin-2-yl]acetic acid

2-[1-(3-aminocyclopentanecarbonyl)pyrrolidin-2-yl]acetic acid (PubChem CID 66010040) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-[1-(3-aminocyclopentanecarbonyl)pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-aminocyclopentanecarbonyl)pyrrolidin-2-yl]acetic acid
PubChem CID66010040
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name2-[1-(3-aminocyclopentanecarbonyl)pyrrolidin-2-yl]acetic acid
SMILESNC1CCC(C(=O)N2CCCC2CC(=O)O)C1
InChIInChI=1S/C12H20N2O3/c13-9-4-3-8(6-9)12(17)14-5-1-2-10(14)7-11(15)16/h8-10H,1-7,13H2,(H,15,16)
InChIKeyCDDXYKKNELOPID-UHFFFAOYSA-N
XLogP0.58
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3-aminocyclopentanecarbonyl)thiomorpholin-3-yl]acetic acid
CID 66445748
(3-aminocyclopentyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 66007560
[(1R,3S)-3-aminocyclopentyl]-[(2S)-2-(2-methylpropyl)pyrrolidin-1-yl]methanone
CID 99776174
(3-aminocyclopentyl)-[2-(2-methylpropyl)azepan-1-yl]methanone;hydrochloride
CID 119797212
2-[1-(1-carbamoylpiperidine-3-carbonyl)piperidin-2-yl]acetic acid
CID 61010810
[(1S,3R)-3-aminocyclohexyl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 124686128
(3-aminocyclopentyl)-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]methanone;hydrochloride
CID 119771492
[(1S,3R)-3-aminocyclopentyl]-[(2R)-2-cyclopentylpyrrolidin-1-yl]methanone
CID 124678579
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-aminocyclopentyl)methanone
CID 102726153
2-[1-(4-aminopiperidine-1-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61403064
2-[1-[(3S)-piperidine-3-carbonyl]pyrrolidin-2-yl]acetic acid
CID 81140304
N-[[1-(3-aminocyclopentanecarbonyl)piperidin-2-yl]methyl]benzamide
CID 119766246

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-aminocyclopentanecarbonyl)pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(3-aminocyclopentanecarbonyl)pyrrolidin-2-yl]acetic acid (CID 66010040) is 2-[1-(3-aminocyclopentanecarbonyl)pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(3-aminocyclopentanecarbonyl)pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(3-aminocyclopentanecarbonyl)pyrrolidin-2-yl]acetic acid is NC1CCC(C(=O)N2CCCC2CC(=O)O)C1.
What is the InChIKey of 2-[1-(3-aminocyclopentanecarbonyl)pyrrolidin-2-yl]acetic acid?
The InChIKey is CDDXYKKNELOPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c13-9-4-3-8(6-9)12(17)14-5-1-2-10(14)7-11(15)16/h8-10H,1-7,13H2,(H,15,16).
What are the key properties of 2-[1-(3-aminocyclopentanecarbonyl)pyrrolidin-2-yl]acetic acid?
2-[1-(3-aminocyclopentanecarbonyl)pyrrolidin-2-yl]acetic acid has a molecular weight of 240.30 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-aminocyclopentanecarbonyl)pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 66010040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).