(2S,4S)-4-hydroxy-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid

C11H13N3O5 — CID 64713152

IUPAC(2S,4S)-4-hydroxy-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H](O)CN1C(=O)Cn1cccnc1=O
InChIInChI=1S/C11H13N3O5/c15-7-4-8(10(17)18)14(5-7)9(16)6-13-3-1-2-12-11(13)19/h1-3,7-8,15H,4-6H2,(H,17,18)/t7-,8-/m0/s1
InChIKeyWBIITQOBHLOMER-YUMQZZPRSA-N
MW267.24 g/mol
LogP-1.71
Rot. Bonds3

About (2S,4S)-4-hydroxy-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid

(2S,4S)-4-hydroxy-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid (PubChem CID 64713152) has the molecular formula C11H13N3O5 and a molecular weight of 267.24 g/mol. Its IUPAC name is (2S,4S)-4-hydroxy-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-4-hydroxy-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid
PubChem CID64713152
Molecular FormulaC11H13N3O5
Molecular Weight267.24 g/mol
Exact Mass267.09
IUPAC Name(2S,4S)-4-hydroxy-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H](O)CN1C(=O)Cn1cccnc1=O
InChIInChI=1S/C11H13N3O5/c15-7-4-8(10(17)18)14(5-7)9(16)6-13-3-1-2-12-11(13)19/h1-3,7-8,15H,4-6H2,(H,17,18)/t7-,8-/m0/s1
InChIKeyWBIITQOBHLOMER-YUMQZZPRSA-N
XLogP-1.71
TPSA112.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 5-1.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-hydroxy-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-4-hydroxy-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid (CID 64713152) is (2S,4S)-4-hydroxy-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-4-hydroxy-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-4-hydroxy-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1C[C@H](O)CN1C(=O)Cn1cccnc1=O.
What is the InChIKey of (2S,4S)-4-hydroxy-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is WBIITQOBHLOMER-YUMQZZPRSA-N. The full InChI is InChI=1S/C11H13N3O5/c15-7-4-8(10(17)18)14(5-7)9(16)6-13-3-1-2-12-11(13)19/h1-3,7-8,15H,4-6H2,(H,17,18)/t7-,8-/m0/s1.
What are the key properties of (2S,4S)-4-hydroxy-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid?
(2S,4S)-4-hydroxy-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 267.24 g/mol, XLogP of -1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-hydroxy-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 64713152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).