ethyl (2S)-2-[(3R)-3-hydroxy-2-oxopyrrolidin-1-yl]propanoate

C9H15NO4 — CID 57160911

IUPACethyl (2S)-2-[(3R)-3-hydroxy-2-oxopyrrolidin-1-yl]propanoate
SMILESCCOC(=O)[C@H](C)N1CC[C@@H](O)C1=O
InChIInChI=1S/C9H15NO4/c1-3-14-9(13)6(2)10-5-4-7(11)8(10)12/h6-7,11H,3-5H2,1-2H3/t6-,7+/m0/s1
InChIKeyFFAPSVNSBQJBFM-NKWVEPMBSA-N
MW201.22 g/mol
LogP-0.47
Rot. Bonds3

About ethyl (2S)-2-[(3R)-3-hydroxy-2-oxopyrrolidin-1-yl]propanoate

ethyl (2S)-2-[(3R)-3-hydroxy-2-oxopyrrolidin-1-yl]propanoate (PubChem CID 57160911) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is ethyl (2S)-2-[(3R)-3-hydroxy-2-oxopyrrolidin-1-yl]propanoate.

Molecular Properties

Compound Nameethyl (2S)-2-[(3R)-3-hydroxy-2-oxopyrrolidin-1-yl]propanoate
PubChem CID57160911
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Nameethyl (2S)-2-[(3R)-3-hydroxy-2-oxopyrrolidin-1-yl]propanoate
SMILESCCOC(=O)[C@H](C)N1CC[C@@H](O)C1=O
InChIInChI=1S/C9H15NO4/c1-3-14-9(13)6(2)10-5-4-7(11)8(10)12/h6-7,11H,3-5H2,1-2H3/t6-,7+/m0/s1
InChIKeyFFAPSVNSBQJBFM-NKWVEPMBSA-N
XLogP-0.47
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-[(3R)-3-hydroxy-2-oxopyrrolidin-1-yl]propanoate?
The IUPAC name of ethyl (2S)-2-[(3R)-3-hydroxy-2-oxopyrrolidin-1-yl]propanoate (CID 57160911) is ethyl (2S)-2-[(3R)-3-hydroxy-2-oxopyrrolidin-1-yl]propanoate.
What is the SMILES notation for ethyl (2S)-2-[(3R)-3-hydroxy-2-oxopyrrolidin-1-yl]propanoate?
The canonical SMILES for ethyl (2S)-2-[(3R)-3-hydroxy-2-oxopyrrolidin-1-yl]propanoate is CCOC(=O)[C@H](C)N1CC[C@@H](O)C1=O.
What is the InChIKey of ethyl (2S)-2-[(3R)-3-hydroxy-2-oxopyrrolidin-1-yl]propanoate?
The InChIKey is FFAPSVNSBQJBFM-NKWVEPMBSA-N. The full InChI is InChI=1S/C9H15NO4/c1-3-14-9(13)6(2)10-5-4-7(11)8(10)12/h6-7,11H,3-5H2,1-2H3/t6-,7+/m0/s1.
What are the key properties of ethyl (2S)-2-[(3R)-3-hydroxy-2-oxopyrrolidin-1-yl]propanoate?
ethyl (2S)-2-[(3R)-3-hydroxy-2-oxopyrrolidin-1-yl]propanoate has a molecular weight of 201.22 g/mol, XLogP of -0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-[(3R)-3-hydroxy-2-oxopyrrolidin-1-yl]propanoate is sourced from PubChem (CID 57160911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).