(4S)-4-[(1S,2R)-1,2,3-trihydroxypropyl]pyrrolidin-2-one

C7H13NO4 — CID 146161426

IUPAC(4S)-4-[(1S,2R)-1,2,3-trihydroxypropyl]pyrrolidin-2-one
SMILESO=C1C[C@H]([C@H](O)[C@H](O)CO)CN1
InChIInChI=1S/C7H13NO4/c9-3-5(10)7(12)4-1-6(11)8-2-4/h4-5,7,9-10,12H,1-3H2,(H,8,11)/t4-,5+,7-/m0/s1
InChIKeySFIIDTPLKSMOHZ-BFHQHQDPSA-N
MW175.18 g/mol
LogP-2.16
Rot. Bonds3

About (4S)-4-[(1S,2R)-1,2,3-trihydroxypropyl]pyrrolidin-2-one

(4S)-4-[(1S,2R)-1,2,3-trihydroxypropyl]pyrrolidin-2-one (PubChem CID 146161426) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is (4S)-4-[(1S,2R)-1,2,3-trihydroxypropyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[(1S,2R)-1,2,3-trihydroxypropyl]pyrrolidin-2-one
PubChem CID146161426
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name(4S)-4-[(1S,2R)-1,2,3-trihydroxypropyl]pyrrolidin-2-one
SMILESO=C1C[C@H]([C@H](O)[C@H](O)CO)CN1
InChIInChI=1S/C7H13NO4/c9-3-5(10)7(12)4-1-6(11)8-2-4/h4-5,7,9-10,12H,1-3H2,(H,8,11)/t4-,5+,7-/m0/s1
InChIKeySFIIDTPLKSMOHZ-BFHQHQDPSA-N
XLogP-2.16
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 5-2.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(1S,2R)-1,2,3-trihydroxypropyl]pyrrolidin-2-one?
The IUPAC name of (4S)-4-[(1S,2R)-1,2,3-trihydroxypropyl]pyrrolidin-2-one (CID 146161426) is (4S)-4-[(1S,2R)-1,2,3-trihydroxypropyl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[(1S,2R)-1,2,3-trihydroxypropyl]pyrrolidin-2-one?
The canonical SMILES for (4S)-4-[(1S,2R)-1,2,3-trihydroxypropyl]pyrrolidin-2-one is O=C1C[C@H]([C@H](O)[C@H](O)CO)CN1.
What is the InChIKey of (4S)-4-[(1S,2R)-1,2,3-trihydroxypropyl]pyrrolidin-2-one?
The InChIKey is SFIIDTPLKSMOHZ-BFHQHQDPSA-N. The full InChI is InChI=1S/C7H13NO4/c9-3-5(10)7(12)4-1-6(11)8-2-4/h4-5,7,9-10,12H,1-3H2,(H,8,11)/t4-,5+,7-/m0/s1.
What are the key properties of (4S)-4-[(1S,2R)-1,2,3-trihydroxypropyl]pyrrolidin-2-one?
(4S)-4-[(1S,2R)-1,2,3-trihydroxypropyl]pyrrolidin-2-one has a molecular weight of 175.18 g/mol, XLogP of -2.16, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(1S,2R)-1,2,3-trihydroxypropyl]pyrrolidin-2-one is sourced from PubChem (CID 146161426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).