2-(1-aminocyclobutyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone

C10H18N2O2 — CID 107217433

IUPAC2-(1-aminocyclobutyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
SMILESNC1(CC(=O)N2CC[C@H](O)C2)CCC1
InChIInChI=1S/C10H18N2O2/c11-10(3-1-4-10)6-9(14)12-5-2-8(13)7-12/h8,13H,1-7,11H2/t8-/m0/s1
InChIKeyLUKUOWAYNMRDHA-QMMMGPOBSA-N
MW198.27 g/mol
LogP-0.15
Rot. Bonds2

About 2-(1-aminocyclobutyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone

2-(1-aminocyclobutyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone (PubChem CID 107217433) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
PubChem CID107217433
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name2-(1-aminocyclobutyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
SMILESNC1(CC(=O)N2CC[C@H](O)C2)CCC1
InChIInChI=1S/C10H18N2O2/c11-10(3-1-4-10)6-9(14)12-5-2-8(13)7-12/h8,13H,1-7,11H2/t8-/m0/s1
InChIKeyLUKUOWAYNMRDHA-QMMMGPOBSA-N
XLogP-0.15
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(1-aminocyclobutyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone (CID 107217433) is 2-(1-aminocyclobutyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(1-aminocyclobutyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(1-aminocyclobutyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone is NC1(CC(=O)N2CC[C@H](O)C2)CCC1.
What is the InChIKey of 2-(1-aminocyclobutyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone?
The InChIKey is LUKUOWAYNMRDHA-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H18N2O2/c11-10(3-1-4-10)6-9(14)12-5-2-8(13)7-12/h8,13H,1-7,11H2/t8-/m0/s1.
What are the key properties of 2-(1-aminocyclobutyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone?
2-(1-aminocyclobutyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone has a molecular weight of 198.27 g/mol, XLogP of -0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone is sourced from PubChem (CID 107217433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).