[(3S)-3-aminopyrrolidin-1-yl]-(oxan-4-yl)methanone

C10H18N2O2 — CID 53256339

IUPAC[(3S)-3-aminopyrrolidin-1-yl]-(oxan-4-yl)methanone
SMILESN[C@H]1CCN(C(=O)C2CCOCC2)C1
InChIInChI=1S/C10H18N2O2/c11-9-1-4-12(7-9)10(13)8-2-5-14-6-3-8/h8-9H,1-7,11H2/t9-/m0/s1
InChIKeyDWEFNCDGSDYVGA-VIFPVBQESA-N
MW198.27 g/mol
LogP-0.03
Rot. Bonds1

About [(3S)-3-aminopyrrolidin-1-yl]-(oxan-4-yl)methanone

[(3S)-3-aminopyrrolidin-1-yl]-(oxan-4-yl)methanone (PubChem CID 53256339) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is [(3S)-3-aminopyrrolidin-1-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-aminopyrrolidin-1-yl]-(oxan-4-yl)methanone
PubChem CID53256339
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name[(3S)-3-aminopyrrolidin-1-yl]-(oxan-4-yl)methanone
SMILESN[C@H]1CCN(C(=O)C2CCOCC2)C1
InChIInChI=1S/C10H18N2O2/c11-9-1-4-12(7-9)10(13)8-2-5-14-6-3-8/h8-9H,1-7,11H2/t9-/m0/s1
InChIKeyDWEFNCDGSDYVGA-VIFPVBQESA-N
XLogP-0.03
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]cyclopropanecarboxamide
CID 91922998
Oxan-4-yl-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 71936706
N-[rel-(3R,4S)-1-(2-ethoxyethyl)-4-propyl-3-pyrrolidinyl]tetrahydro-2H-pyran-4-carboxamide hydrochloride
CID 72895452
1-[1-(Oxane-4-carbonyl)azetidin-3-yl]pyrrolidine
CID 134160453
N-[1-(2,2-dimethylpropyl)-5-oxo-3-pyrrolidinyl]tetrahydro-2H-pyran-4-carboxamide
CID 45203587
(4-Aminooxan-4-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 114271820
4-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]oxane-4-carboxamide
CID 115294072
(4-Aminooxan-4-yl)-[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]methanone
CID 120030686
N-[1-(cyclohexylmethyl)-5-oxo-3-pyrrolidinyl]tetrahydro-2H-pyran-4-carboxamide
CID 45227367
N-(2-aminoethyl)oxane-4-carboxamide
CID 15035312
N-(1-aminopropan-2-yl)oxane-4-carboxamide
CID 19797577
(1,4-Diazepan-1-yl)(tetrahydro-2H-pyran-4-yl)methanone
CID 28776660

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-aminopyrrolidin-1-yl]-(oxan-4-yl)methanone?
The IUPAC name of [(3S)-3-aminopyrrolidin-1-yl]-(oxan-4-yl)methanone (CID 53256339) is [(3S)-3-aminopyrrolidin-1-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [(3S)-3-aminopyrrolidin-1-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [(3S)-3-aminopyrrolidin-1-yl]-(oxan-4-yl)methanone is N[C@H]1CCN(C(=O)C2CCOCC2)C1.
What is the InChIKey of [(3S)-3-aminopyrrolidin-1-yl]-(oxan-4-yl)methanone?
The InChIKey is DWEFNCDGSDYVGA-VIFPVBQESA-N. The full InChI is InChI=1S/C10H18N2O2/c11-9-1-4-12(7-9)10(13)8-2-5-14-6-3-8/h8-9H,1-7,11H2/t9-/m0/s1.
What are the key properties of [(3S)-3-aminopyrrolidin-1-yl]-(oxan-4-yl)methanone?
[(3S)-3-aminopyrrolidin-1-yl]-(oxan-4-yl)methanone has a molecular weight of 198.27 g/mol, XLogP of -0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-aminopyrrolidin-1-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 53256339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).