(3-aminocyclobutyl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone

C9H16N2O3 — CID 164660918

IUPAC(3-aminocyclobutyl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
SMILESNC1CC(C(=O)N2C[C@@H](O)[C@@H](O)C2)C1
InChIInChI=1S/C9H16N2O3/c10-6-1-5(2-6)9(14)11-3-7(12)8(13)4-11/h5-8,12-13H,1-4,10H2/t5?,6?,7-,8+
InChIKeyQGNNOHSKDBEWLP-HYNHDVCUSA-N
MW200.24 g/mol
LogP-1.71
Rot. Bonds1

About (3-aminocyclobutyl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone

(3-aminocyclobutyl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone (PubChem CID 164660918) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is (3-aminocyclobutyl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-aminocyclobutyl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
PubChem CID164660918
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name(3-aminocyclobutyl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
SMILESNC1CC(C(=O)N2C[C@@H](O)[C@@H](O)C2)C1
InChIInChI=1S/C9H16N2O3/c10-6-1-5(2-6)9(14)11-3-7(12)8(13)4-11/h5-8,12-13H,1-4,10H2/t5?,6?,7-,8+
InChIKeyQGNNOHSKDBEWLP-HYNHDVCUSA-N
XLogP-1.71
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-1.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-bicyclo[3.1.0]hexanyl-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671271
(3-aminocyclobutyl)-(3-methoxyazetidin-1-yl)methanone
CID 164660908
(3-aminocyclopentyl)-(3-hydroxyazetidin-1-yl)methanone
CID 107217532
(3-aminocyclobutyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 164653176
(3-amino-4-methylcyclohexyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106674274
(3-aminocyclopentyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 66032470
(3-aminocyclobutyl)-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone
CID 116999420
3,4-dihydroxypyrrolidine-1-carboxamide
CID 21474962
(2-aminocyclopentyl)-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 107220787
(3-aminocyclopentyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 114536713
(3-aminocyclopentyl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 104958585
ethyl 4-(3-amino-5-methylcyclohexanecarbonyl)piperazine-1-carboxylate
CID 107877740

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclobutyl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone?
The IUPAC name of (3-aminocyclobutyl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone (CID 164660918) is (3-aminocyclobutyl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-aminocyclobutyl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for (3-aminocyclobutyl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone is NC1CC(C(=O)N2C[C@@H](O)[C@@H](O)C2)C1.
What is the InChIKey of (3-aminocyclobutyl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone?
The InChIKey is QGNNOHSKDBEWLP-HYNHDVCUSA-N. The full InChI is InChI=1S/C9H16N2O3/c10-6-1-5(2-6)9(14)11-3-7(12)8(13)4-11/h5-8,12-13H,1-4,10H2/t5?,6?,7-,8+.
What are the key properties of (3-aminocyclobutyl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone?
(3-aminocyclobutyl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone has a molecular weight of 200.24 g/mol, XLogP of -1.71, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclobutyl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 164660918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).