2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanedioic acid

C11H13N3O6 — CID 60832493

IUPAC2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanedioic acid
SMILESO=C(O)CCC(NC(=O)Cn1cccnc1=O)C(=O)O
InChIInChI=1S/C11H13N3O6/c15-8(6-14-5-1-4-12-11(14)20)13-7(10(18)19)2-3-9(16)17/h1,4-5,7H,2-3,6H2,(H,13,15)(H,16,17)(H,18,19)
InChIKeyAZCOLRHLAOTYCR-UHFFFAOYSA-N
MW283.24 g/mol
LogP-1.32
Rot. Bonds7

About 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanedioic acid

2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanedioic acid (PubChem CID 60832493) has the molecular formula C11H13N3O6 and a molecular weight of 283.24 g/mol. Its IUPAC name is 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanedioic acid.

Molecular Properties

Compound Name2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanedioic acid
PubChem CID60832493
Molecular FormulaC11H13N3O6
Molecular Weight283.24 g/mol
Exact Mass283.08
IUPAC Name2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanedioic acid
SMILESO=C(O)CCC(NC(=O)Cn1cccnc1=O)C(=O)O
InChIInChI=1S/C11H13N3O6/c15-8(6-14-5-1-4-12-11(14)20)13-7(10(18)19)2-3-9(16)17/h1,4-5,7H,2-3,6H2,(H,13,15)(H,16,17)(H,18,19)
InChIKeyAZCOLRHLAOTYCR-UHFFFAOYSA-N
XLogP-1.32
TPSA138.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 5-1.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-(2,3-dihydropyridine-2-carbonylamino)pentanedioic acid
CID 67093067
4-Methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid
CID 43170148
4-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 43355048
3-Methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid
CID 43356432
4-Amino-4-oxo-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 43357093
5-Amino-5-oxo-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid
CID 43358661
2-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 43469357
2-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]hexanoic acid
CID 43469694
2-Methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid
CID 43618689
2-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]pentanoic acid
CID 43630438
(2S)-4-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid
CID 61136658
(2S,3S)-3-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid
CID 61136812

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanedioic acid?
The IUPAC name of 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanedioic acid (CID 60832493) is 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanedioic acid.
What is the SMILES notation for 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanedioic acid?
The canonical SMILES for 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanedioic acid is O=C(O)CCC(NC(=O)Cn1cccnc1=O)C(=O)O.
What is the InChIKey of 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanedioic acid?
The InChIKey is AZCOLRHLAOTYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O6/c15-8(6-14-5-1-4-12-11(14)20)13-7(10(18)19)2-3-9(16)17/h1,4-5,7H,2-3,6H2,(H,13,15)(H,16,17)(H,18,19).
What are the key properties of 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanedioic acid?
2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanedioic acid has a molecular weight of 283.24 g/mol, XLogP of -1.32, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanedioic acid is sourced from PubChem (CID 60832493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).