(3S)-3-amino-1-(2-methoxyethyl)pyrrolidin-2-one

C7H14N2O2 — CID 59215936

IUPAC(3S)-3-amino-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCOCCN1CC[C@H](N)C1=O
InChIInChI=1S/C7H14N2O2/c1-11-5-4-9-3-2-6(8)7(9)10/h6H,2-5,8H2,1H3/t6-/m0/s1
InChIKeyQQLJLRDOUOSXBB-LURJTMIESA-N
MW158.20 g/mol
LogP-0.81
Rot. Bonds3

About (3S)-3-amino-1-(2-methoxyethyl)pyrrolidin-2-one

(3S)-3-amino-1-(2-methoxyethyl)pyrrolidin-2-one (PubChem CID 59215936) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is (3S)-3-amino-1-(2-methoxyethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-amino-1-(2-methoxyethyl)pyrrolidin-2-one
PubChem CID59215936
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name(3S)-3-amino-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCOCCN1CC[C@H](N)C1=O
InChIInChI=1S/C7H14N2O2/c1-11-5-4-9-3-2-6(8)7(9)10/h6H,2-5,8H2,1H3/t6-/m0/s1
InChIKeyQQLJLRDOUOSXBB-LURJTMIESA-N
XLogP-0.81
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.81
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-(2-methoxyethyl)pyrrolidin-2-one?
The IUPAC name of (3S)-3-amino-1-(2-methoxyethyl)pyrrolidin-2-one (CID 59215936) is (3S)-3-amino-1-(2-methoxyethyl)pyrrolidin-2-one.
What is the SMILES notation for (3S)-3-amino-1-(2-methoxyethyl)pyrrolidin-2-one?
The canonical SMILES for (3S)-3-amino-1-(2-methoxyethyl)pyrrolidin-2-one is COCCN1CC[C@H](N)C1=O.
What is the InChIKey of (3S)-3-amino-1-(2-methoxyethyl)pyrrolidin-2-one?
The InChIKey is QQLJLRDOUOSXBB-LURJTMIESA-N. The full InChI is InChI=1S/C7H14N2O2/c1-11-5-4-9-3-2-6(8)7(9)10/h6H,2-5,8H2,1H3/t6-/m0/s1.
What are the key properties of (3S)-3-amino-1-(2-methoxyethyl)pyrrolidin-2-one?
(3S)-3-amino-1-(2-methoxyethyl)pyrrolidin-2-one has a molecular weight of 158.20 g/mol, XLogP of -0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-1-(2-methoxyethyl)pyrrolidin-2-one is sourced from PubChem (CID 59215936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).