(2R)-2-(pyrimidine-5-carbonylamino)butanedioic acid

C9H9N3O5 — CID 102921618

IUPAC(2R)-2-(pyrimidine-5-carbonylamino)butanedioic acid
SMILESO=C(O)C[C@@H](NC(=O)c1cncnc1)C(=O)O
InChIInChI=1S/C9H9N3O5/c13-7(14)1-6(9(16)17)12-8(15)5-2-10-4-11-3-5/h2-4,6H,1H2,(H,12,15)(H,13,14)(H,16,17)/t6-/m1/s1
InChIKeyWAIGXYOMXLYVND-ZCFIWIBFSA-N
MW239.19 g/mol
LogP-0.87
Rot. Bonds5

About (2R)-2-(pyrimidine-5-carbonylamino)butanedioic acid

(2R)-2-(pyrimidine-5-carbonylamino)butanedioic acid (PubChem CID 102921618) has the molecular formula C9H9N3O5 and a molecular weight of 239.19 g/mol. Its IUPAC name is (2R)-2-(pyrimidine-5-carbonylamino)butanedioic acid.

Molecular Properties

Compound Name(2R)-2-(pyrimidine-5-carbonylamino)butanedioic acid
PubChem CID102921618
Molecular FormulaC9H9N3O5
Molecular Weight239.19 g/mol
Exact Mass239.05
IUPAC Name(2R)-2-(pyrimidine-5-carbonylamino)butanedioic acid
SMILESO=C(O)C[C@@H](NC(=O)c1cncnc1)C(=O)O
InChIInChI=1S/C9H9N3O5/c13-7(14)1-6(9(16)17)12-8(15)5-2-10-4-11-3-5/h2-4,6H,1H2,(H,12,15)(H,13,14)(H,16,17)/t6-/m1/s1
InChIKeyWAIGXYOMXLYVND-ZCFIWIBFSA-N
XLogP-0.87
TPSA129.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.19
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(pyrimidine-5-carbonylamino)butanedioic acid?
The IUPAC name of (2R)-2-(pyrimidine-5-carbonylamino)butanedioic acid (CID 102921618) is (2R)-2-(pyrimidine-5-carbonylamino)butanedioic acid.
What is the SMILES notation for (2R)-2-(pyrimidine-5-carbonylamino)butanedioic acid?
The canonical SMILES for (2R)-2-(pyrimidine-5-carbonylamino)butanedioic acid is O=C(O)C[C@@H](NC(=O)c1cncnc1)C(=O)O.
What is the InChIKey of (2R)-2-(pyrimidine-5-carbonylamino)butanedioic acid?
The InChIKey is WAIGXYOMXLYVND-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H9N3O5/c13-7(14)1-6(9(16)17)12-8(15)5-2-10-4-11-3-5/h2-4,6H,1H2,(H,12,15)(H,13,14)(H,16,17)/t6-/m1/s1.
What are the key properties of (2R)-2-(pyrimidine-5-carbonylamino)butanedioic acid?
(2R)-2-(pyrimidine-5-carbonylamino)butanedioic acid has a molecular weight of 239.19 g/mol, XLogP of -0.87, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(pyrimidine-5-carbonylamino)butanedioic acid is sourced from PubChem (CID 102921618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).