(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidine-2-carboxylic acid

C10H13N3O4 — CID 21044257

IUPAC(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidine-2-carboxylic acid
SMILESCc1cn([C@H]2CN[C@@H](C(=O)O)C2)c(=O)[nH]c1=O
InChIInChI=1S/C10H13N3O4/c1-5-4-13(10(17)12-8(5)14)6-2-7(9(15)16)11-3-6/h4,6-7,11H,2-3H2,1H3,(H,15,16)(H,12,14,17)/t6-,7-/m1/s1
InChIKeyPPVJIJISWDKUER-RNFRBKRXSA-N
MW239.23 g/mol
LogP-1.17
Rot. Bonds2

About (2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidine-2-carboxylic acid

(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidine-2-carboxylic acid (PubChem CID 21044257) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is (2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidine-2-carboxylic acid
PubChem CID21044257
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidine-2-carboxylic acid
SMILESCc1cn([C@H]2CN[C@@H](C(=O)O)C2)c(=O)[nH]c1=O
InChIInChI=1S/C10H13N3O4/c1-5-4-13(10(17)12-8(5)14)6-2-7(9(15)16)11-3-6/h4,6-7,11H,2-3H2,1H3,(H,15,16)(H,12,14,17)/t6-,7-/m1/s1
InChIKeyPPVJIJISWDKUER-RNFRBKRXSA-N
XLogP-1.17
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-1.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidine-2-carboxylic acid (CID 21044257) is (2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidine-2-carboxylic acid is Cc1cn([C@H]2CN[C@@H](C(=O)O)C2)c(=O)[nH]c1=O.
What is the InChIKey of (2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is PPVJIJISWDKUER-RNFRBKRXSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-5-4-13(10(17)12-8(5)14)6-2-7(9(15)16)11-3-6/h4,6-7,11H,2-3H2,1H3,(H,15,16)(H,12,14,17)/t6-,7-/m1/s1.
What are the key properties of (2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidine-2-carboxylic acid?
(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 239.23 g/mol, XLogP of -1.17, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 21044257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).