(1-aminocyclobutyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone

C9H16N2O2 — CID 107217407

IUPAC(1-aminocyclobutyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
SMILESNC1(C(=O)N2CC[C@H](O)C2)CCC1
InChIInChI=1S/C9H16N2O2/c10-9(3-1-4-9)8(13)11-5-2-7(12)6-11/h7,12H,1-6,10H2/t7-/m0/s1
InChIKeyPNXIFXXHPQXFJJ-ZETCQYMHSA-N
MW184.24 g/mol
LogP-0.54
Rot. Bonds1

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

(1-aminocyclobutyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone (PubChem CID 107217407) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is (1-aminocyclobutyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-aminocyclobutyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
PubChem CID107217407
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name(1-aminocyclobutyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
SMILESNC1(C(=O)N2CC[C@H](O)C2)CCC1
InChIInChI=1S/C9H16N2O2/c10-9(3-1-4-9)8(13)11-5-2-7(12)6-11/h7,12H,1-6,10H2/t7-/m0/s1
InChIKeyPNXIFXXHPQXFJJ-ZETCQYMHSA-N
XLogP-0.54
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1-aminocyclobutyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107222967
2-(1-aminocyclobutyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
CID 107217433
[(3S)-3-hydroxypyrrolidin-1-yl]-(1-methylcyclopropyl)methanone
CID 130162770
[(3R)-3-hydroxypyrrolidin-1-yl]-(1-methylcycloheptyl)methanone
CID 110027381
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(1-aminocyclopropyl)methanone
CID 65466572
[1-(aminomethyl)cyclohexyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 94895786
N'-hydroxy-1-(3-hydroxypyrrolidine-1-carbonyl)cyclopropane-1-carboximidamide
CID 80596829
2-cyclobutyl-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
CID 103745565
(1-aminocyclobutyl)-(4-tert-butylpiperidin-1-yl)methanone
CID 81169402
(1-aminocyclobutyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 81168310
(1-amino-3-methylcyclohexyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102957262
(1-aminocyclopropyl)-[(3R)-3-methylpiperidin-1-yl]methanone
CID 89395545

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclobutyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of (1-aminocyclobutyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone (CID 107217407) is (1-aminocyclobutyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (1-aminocyclobutyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for (1-aminocyclobutyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone is NC1(C(=O)N2CC[C@H](O)C2)CCC1.
What is the InChIKey of (1-aminocyclobutyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is PNXIFXXHPQXFJJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H16N2O2/c10-9(3-1-4-9)8(13)11-5-2-7(12)6-11/h7,12H,1-6,10H2/t7-/m0/s1.
What are the key properties of (1-aminocyclobutyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
(1-aminocyclobutyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 184.24 g/mol, XLogP of -0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclobutyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 107217407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).