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

C11H15N3O4 — CID 43630438

IUPAC2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid
SMILESCCCC(NC(=O)Cn1cccnc1=O)C(=O)O
InChIInChI=1S/C11H15N3O4/c1-2-4-8(10(16)17)13-9(15)7-14-6-3-5-12-11(14)18/h3,5-6,8H,2,4,7H2,1H3,(H,13,15)(H,16,17)
InChIKeyIHNTZURUCOXLIC-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.39
Rot. Bonds6

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

2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid (PubChem CID 43630438) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid
PubChem CID43630438
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid
SMILESCCCC(NC(=O)Cn1cccnc1=O)C(=O)O
InChIInChI=1S/C11H15N3O4/c1-2-4-8(10(16)17)13-9(15)7-14-6-3-5-12-11(14)18/h3,5-6,8H,2,4,7H2,1H3,(H,13,15)(H,16,17)
InChIKeyIHNTZURUCOXLIC-UHFFFAOYSA-N
XLogP-0.39
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-6-amino-2-[2-(4-amino-2-oxopyrimidin-1-yl)propanoylamino]hexanoic acid
CID 91610677
6-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]hexanoic acid
CID 43170021
4-Methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid
CID 43170148
3-Methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 43170393
4-Methylsulfanyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 43353420
3-Hydroxy-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 43353680
4-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 43355048
2-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]propanoic acid
CID 43355310
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-Cyclopropyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid
CID 43360373

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid?
The IUPAC name of 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid (CID 43630438) is 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid.
What is the SMILES notation for 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid?
The canonical SMILES for 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid is CCCC(NC(=O)Cn1cccnc1=O)C(=O)O.
What is the InChIKey of 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid?
The InChIKey is IHNTZURUCOXLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-2-4-8(10(16)17)13-9(15)7-14-6-3-5-12-11(14)18/h3,5-6,8H,2,4,7H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid?
2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid has a molecular weight of 253.26 g/mol, XLogP of -0.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid is sourced from PubChem (CID 43630438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).