3-[(2S)-3-hydroxy-2-(methylamino)propyl]pyrrolidin-2-one

C8H16N2O2 — CID 58593524

IUPAC3-[(2S)-3-hydroxy-2-(methylamino)propyl]pyrrolidin-2-one
SMILESCN[C@H](CO)CC1CCNC1=O
InChIInChI=1S/C8H16N2O2/c1-9-7(5-11)4-6-2-3-10-8(6)12/h6-7,9,11H,2-5H2,1H3,(H,10,12)/t6?,7-/m0/s1
InChIKeyCWCRUXNVDCOPQW-MLWJPKLSSA-N
MW172.23 g/mol
LogP-0.91
Rot. Bonds4

About 3-[(2S)-3-hydroxy-2-(methylamino)propyl]pyrrolidin-2-one

3-[(2S)-3-hydroxy-2-(methylamino)propyl]pyrrolidin-2-one (PubChem CID 58593524) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 3-[(2S)-3-hydroxy-2-(methylamino)propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-[(2S)-3-hydroxy-2-(methylamino)propyl]pyrrolidin-2-one
PubChem CID58593524
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name3-[(2S)-3-hydroxy-2-(methylamino)propyl]pyrrolidin-2-one
SMILESCN[C@H](CO)CC1CCNC1=O
InChIInChI=1S/C8H16N2O2/c1-9-7(5-11)4-6-2-3-10-8(6)12/h6-7,9,11H,2-5H2,1H3,(H,10,12)/t6?,7-/m0/s1
InChIKeyCWCRUXNVDCOPQW-MLWJPKLSSA-N
XLogP-0.91
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-3-hydroxy-2-(methylamino)propyl]pyrrolidin-2-one?
The IUPAC name of 3-[(2S)-3-hydroxy-2-(methylamino)propyl]pyrrolidin-2-one (CID 58593524) is 3-[(2S)-3-hydroxy-2-(methylamino)propyl]pyrrolidin-2-one.
What is the SMILES notation for 3-[(2S)-3-hydroxy-2-(methylamino)propyl]pyrrolidin-2-one?
The canonical SMILES for 3-[(2S)-3-hydroxy-2-(methylamino)propyl]pyrrolidin-2-one is CN[C@H](CO)CC1CCNC1=O.
What is the InChIKey of 3-[(2S)-3-hydroxy-2-(methylamino)propyl]pyrrolidin-2-one?
The InChIKey is CWCRUXNVDCOPQW-MLWJPKLSSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-9-7(5-11)4-6-2-3-10-8(6)12/h6-7,9,11H,2-5H2,1H3,(H,10,12)/t6?,7-/m0/s1.
What are the key properties of 3-[(2S)-3-hydroxy-2-(methylamino)propyl]pyrrolidin-2-one?
3-[(2S)-3-hydroxy-2-(methylamino)propyl]pyrrolidin-2-one has a molecular weight of 172.23 g/mol, XLogP of -0.91, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-3-hydroxy-2-(methylamino)propyl]pyrrolidin-2-one is sourced from PubChem (CID 58593524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).