(4S)-4-aminopyrrolidin-2-one

C4H8N2O — CID 27369170

IUPAC(4S)-4-aminopyrrolidin-2-one
SMILESN[C@@H]1CNC(=O)C1
InChIInChI=1S/C4H8N2O/c5-3-1-4(7)6-2-3/h3H,1-2,5H2,(H,6,7)/t3-/m0/s1
InChIKeyJIMSBKAHGYGPLD-VKHMYHEASA-N
MW100.12 g/mol
LogP-1.17
Rot. Bonds

About (4S)-4-aminopyrrolidin-2-one

(4S)-4-aminopyrrolidin-2-one (PubChem CID 27369170) has the molecular formula C4H8N2O and a molecular weight of 100.12 g/mol. Its IUPAC name is (4S)-4-aminopyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-aminopyrrolidin-2-one
PubChem CID27369170
Molecular FormulaC4H8N2O
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC Name(4S)-4-aminopyrrolidin-2-one
SMILESN[C@@H]1CNC(=O)C1
InChIInChI=1S/C4H8N2O/c5-3-1-4(7)6-2-3/h3H,1-2,5H2,(H,6,7)/t3-/m0/s1
InChIKeyJIMSBKAHGYGPLD-VKHMYHEASA-N
XLogP-1.17
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-Aminoethyl)pyrrolidin-2-one
CID 90660
(3S)-3-aminopyrrolidin-2-one
CID 12430456
3-Acetamidopyrrolidine
CID 522715
(S)-Aspartimide
CID 13373305
4-Aminopyrrolidin-2-one
CID 13195064
5-(Aminomethyl)pyrrolidin-2-one
CID 14143189
Aspartimide
CID 188987
2-Pyrrolidinone, 1-(2-aminoethyl)-, monohydrochloride
CID 3022039
(3R)-3-Aminopyrrolidin-2-one
CID 21969418
3-Aminopyrrolidin-2-one
CID 10486805
3-(Methylamino)-2,5-pyrrolidinedione
CID 12695971
1-(2-Aminopropyl)-2-pyrrolidinone
CID 16787003

Frequently Asked Questions

What is the IUPAC name of (4S)-4-aminopyrrolidin-2-one?
The IUPAC name of (4S)-4-aminopyrrolidin-2-one (CID 27369170) is (4S)-4-aminopyrrolidin-2-one.
What is the SMILES notation for (4S)-4-aminopyrrolidin-2-one?
The canonical SMILES for (4S)-4-aminopyrrolidin-2-one is N[C@@H]1CNC(=O)C1.
What is the InChIKey of (4S)-4-aminopyrrolidin-2-one?
The InChIKey is JIMSBKAHGYGPLD-VKHMYHEASA-N. The full InChI is InChI=1S/C4H8N2O/c5-3-1-4(7)6-2-3/h3H,1-2,5H2,(H,6,7)/t3-/m0/s1.
What are the key properties of (4S)-4-aminopyrrolidin-2-one?
(4S)-4-aminopyrrolidin-2-one has a molecular weight of 100.12 g/mol, XLogP of -1.17, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-aminopyrrolidin-2-one is sourced from PubChem (CID 27369170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).