[(2S,3S)-3-hydroxybutan-2-yl] (2S)-5-oxopyrrolidine-2-carboxylate

C9H15NO4 — CID 162899358

IUPAC[(2S,3S)-3-hydroxybutan-2-yl] (2S)-5-oxopyrrolidine-2-carboxylate
SMILESC[C@H](O)[C@H](C)OC(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C9H15NO4/c1-5(11)6(2)14-9(13)7-3-4-8(12)10-7/h5-7,11H,3-4H2,1-2H3,(H,10,12)/t5-,6-,7-/m0/s1
InChIKeyKGVMXZGSVPGTNQ-ACZMJKKPSA-N
MW201.22 g/mol
LogP-0.42
Rot. Bonds3

About [(2S,3S)-3-hydroxybutan-2-yl] (2S)-5-oxopyrrolidine-2-carboxylate

[(2S,3S)-3-hydroxybutan-2-yl] (2S)-5-oxopyrrolidine-2-carboxylate (PubChem CID 162899358) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is [(2S,3S)-3-hydroxybutan-2-yl] (2S)-5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Name[(2S,3S)-3-hydroxybutan-2-yl] (2S)-5-oxopyrrolidine-2-carboxylate
PubChem CID162899358
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name[(2S,3S)-3-hydroxybutan-2-yl] (2S)-5-oxopyrrolidine-2-carboxylate
SMILESC[C@H](O)[C@H](C)OC(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C9H15NO4/c1-5(11)6(2)14-9(13)7-3-4-8(12)10-7/h5-7,11H,3-4H2,1-2H3,(H,10,12)/t5-,6-,7-/m0/s1
InChIKeyKGVMXZGSVPGTNQ-ACZMJKKPSA-N
XLogP-0.42
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl (2R)-6-oxopiperidine-2-carboxylate
CID 131042024
(2R)-4-methyl-2-[(2S)-5-oxopyrrolidine-2-carbonyl]oxypentanoic acid
CID 22789944
(1-oxo-1-propoxypropan-2-yl) (2S)-5-oxopyrrolidine-2-carboxylate
CID 22839952
nonan-2-yl 5-oxopyrrolidine-2-carboxylate
CID 19939356
(5S)-5-(2-methylpropanoyl)pyrrolidin-2-one
CID 59969678
(2S)-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
CID 11105798
ethyl (2S)-5-oxopyrrolidine-2-carboxylate;methyl (2S)-5-oxopyrrolidine-2-carboxylate
CID 159600459
[(2S)-5-oxopyrrolidine-2-carbonyl]oxymethyl (2S)-5-oxopyrrolidine-2-carboxylate
CID 66848985
2-methoxyethyl (2S)-5-oxopyrrolidine-2-carboxylate
CID 156790382
(3-acetyloxy-2-hydroxypropyl) (2S)-5-oxopyrrolidine-2-carboxylate
CID 22838342
(1-ethoxy-1-oxohexan-2-yl) (2S)-5-oxopyrrolidine-2-carboxylate
CID 22839940
hexadecan-3-yl (2S)-5-oxopyrrolidine-2-carboxylate
CID 56842365

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-3-hydroxybutan-2-yl] (2S)-5-oxopyrrolidine-2-carboxylate?
The IUPAC name of [(2S,3S)-3-hydroxybutan-2-yl] (2S)-5-oxopyrrolidine-2-carboxylate (CID 162899358) is [(2S,3S)-3-hydroxybutan-2-yl] (2S)-5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for [(2S,3S)-3-hydroxybutan-2-yl] (2S)-5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for [(2S,3S)-3-hydroxybutan-2-yl] (2S)-5-oxopyrrolidine-2-carboxylate is C[C@H](O)[C@H](C)OC(=O)[C@@H]1CCC(=O)N1.
What is the InChIKey of [(2S,3S)-3-hydroxybutan-2-yl] (2S)-5-oxopyrrolidine-2-carboxylate?
The InChIKey is KGVMXZGSVPGTNQ-ACZMJKKPSA-N. The full InChI is InChI=1S/C9H15NO4/c1-5(11)6(2)14-9(13)7-3-4-8(12)10-7/h5-7,11H,3-4H2,1-2H3,(H,10,12)/t5-,6-,7-/m0/s1.
What are the key properties of [(2S,3S)-3-hydroxybutan-2-yl] (2S)-5-oxopyrrolidine-2-carboxylate?
[(2S,3S)-3-hydroxybutan-2-yl] (2S)-5-oxopyrrolidine-2-carboxylate has a molecular weight of 201.22 g/mol, XLogP of -0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-3-hydroxybutan-2-yl] (2S)-5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 162899358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).