(3S)-3-amino-1-(oxan-4-ylmethyl)pyrrolidin-2-one

C10H18N2O2 — CID 67498220

IUPAC(3S)-3-amino-1-(oxan-4-ylmethyl)pyrrolidin-2-one
SMILESN[C@H]1CCN(CC2CCOCC2)C1=O
InChIInChI=1S/C10H18N2O2/c11-9-1-4-12(10(9)13)7-8-2-5-14-6-3-8/h8-9H,1-7,11H2/t9-/m0/s1
InChIKeyFAZIQUKGTKMHNS-VIFPVBQESA-N
MW198.27 g/mol
LogP-0.03
Rot. Bonds2

About (3S)-3-amino-1-(oxan-4-ylmethyl)pyrrolidin-2-one

(3S)-3-amino-1-(oxan-4-ylmethyl)pyrrolidin-2-one (PubChem CID 67498220) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is (3S)-3-amino-1-(oxan-4-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-amino-1-(oxan-4-ylmethyl)pyrrolidin-2-one
PubChem CID67498220
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name(3S)-3-amino-1-(oxan-4-ylmethyl)pyrrolidin-2-one
SMILESN[C@H]1CCN(CC2CCOCC2)C1=O
InChIInChI=1S/C10H18N2O2/c11-9-1-4-12(10(9)13)7-8-2-5-14-6-3-8/h8-9H,1-7,11H2/t9-/m0/s1
InChIKeyFAZIQUKGTKMHNS-VIFPVBQESA-N
XLogP-0.03
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-1-(oxan-4-ylmethyl)pyrrolidin-2-one?
The IUPAC name of (3S)-3-amino-1-(oxan-4-ylmethyl)pyrrolidin-2-one (CID 67498220) is (3S)-3-amino-1-(oxan-4-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for (3S)-3-amino-1-(oxan-4-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for (3S)-3-amino-1-(oxan-4-ylmethyl)pyrrolidin-2-one is N[C@H]1CCN(CC2CCOCC2)C1=O.
What is the InChIKey of (3S)-3-amino-1-(oxan-4-ylmethyl)pyrrolidin-2-one?
The InChIKey is FAZIQUKGTKMHNS-VIFPVBQESA-N. The full InChI is InChI=1S/C10H18N2O2/c11-9-1-4-12(10(9)13)7-8-2-5-14-6-3-8/h8-9H,1-7,11H2/t9-/m0/s1.
What are the key properties of (3S)-3-amino-1-(oxan-4-ylmethyl)pyrrolidin-2-one?
(3S)-3-amino-1-(oxan-4-ylmethyl)pyrrolidin-2-one has a molecular weight of 198.27 g/mol, XLogP of -0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-1-(oxan-4-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 67498220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).