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

C11H13N3O6 — CID 61151882

IUPAC(2S)-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanedioic acid
SMILESO=C(O)CC[C@H](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)/t7-/m0/s1
InChIKeyAZCOLRHLAOTYCR-ZETCQYMHSA-N
MW283.24 g/mol
LogP-1.32
Rot. Bonds7

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

(2S)-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanedioic acid (PubChem CID 61151882) has the molecular formula C11H13N3O6 and a molecular weight of 283.24 g/mol. Its IUPAC name is (2S)-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanedioic acid.

Molecular Properties

Compound Name(2S)-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanedioic acid
PubChem CID61151882
Molecular FormulaC11H13N3O6
Molecular Weight283.24 g/mol
Exact Mass283.08
IUPAC Name(2S)-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanedioic acid
SMILESO=C(O)CC[C@H](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)/t7-/m0/s1
InChIKeyAZCOLRHLAOTYCR-ZETCQYMHSA-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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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanedioic acid?
The IUPAC name of (2S)-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanedioic acid (CID 61151882) is (2S)-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanedioic acid.
What is the SMILES notation for (2S)-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanedioic acid?
The canonical SMILES for (2S)-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanedioic acid is O=C(O)CC[C@H](NC(=O)Cn1cccnc1=O)C(=O)O.
What is the InChIKey of (2S)-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanedioic acid?
The InChIKey is AZCOLRHLAOTYCR-ZETCQYMHSA-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)/t7-/m0/s1.
What are the key properties of (2S)-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanedioic acid?
(2S)-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 (2S)-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanedioic acid is sourced from PubChem (CID 61151882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).