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

C11H13N3O4 — CID 61136710

IUPAC(2S)-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)Cn1cccnc1=O
InChIInChI=1S/C11H13N3O4/c15-9(7-13-5-2-4-12-11(13)18)14-6-1-3-8(14)10(16)17/h2,4-5,8H,1,3,6-7H2,(H,16,17)/t8-/m0/s1
InChIKeyXUUPPXFWLULSAA-QMMMGPOBSA-N
MW251.24 g/mol
LogP-0.68
Rot. Bonds3

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

(2S)-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid (PubChem CID 61136710) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is (2S)-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid
PubChem CID61136710
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name(2S)-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)Cn1cccnc1=O
InChIInChI=1S/C11H13N3O4/c15-9(7-13-5-2-4-12-11(13)18)14-6-1-3-8(14)10(16)17/h2,4-5,8H,1,3,6-7H2,(H,16,17)/t8-/m0/s1
InChIKeyXUUPPXFWLULSAA-QMMMGPOBSA-N
XLogP-0.68
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Hydroxy-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 43171349
4-Methoxy-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 43172296
1-[2-(2-Oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 43355585
1-[2-(2-Oxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid
CID 43355988
5-Amino-5-oxo-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid
CID 43358661
Methyl 1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylate
CID 43623808
(2S)-5-amino-5-oxo-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid
CID 61144059
(2S)-4-hydroxy-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 61153710
2-[1-[2-(2-Oxopyrimidin-1-yl)acetyl]pyrrolidin-2-yl]acetic acid
CID 61370677
1-[2-[2-(Hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one
CID 61410749
Ethyl 1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylate
CID 61600981
2-[Methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 61816595

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid (CID 61136710) is (2S)-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1C(=O)Cn1cccnc1=O.
What is the InChIKey of (2S)-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is XUUPPXFWLULSAA-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H13N3O4/c15-9(7-13-5-2-4-12-11(13)18)14-6-1-3-8(14)10(16)17/h2,4-5,8H,1,3,6-7H2,(H,16,17)/t8-/m0/s1.
What are the key properties of (2S)-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 251.24 g/mol, XLogP of -0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61136710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).