3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid

C9H11N3O4 — CID 43354788

IUPAC3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)Cn1cccnc1=O
InChIInChI=1S/C9H11N3O4/c13-7(10-4-2-8(14)15)6-12-5-1-3-11-9(12)16/h1,3,5H,2,4,6H2,(H,10,13)(H,14,15)
InChIKeyUUGYJOFVKNOICL-UHFFFAOYSA-N
MW225.20 g/mol
LogP-1.17
Rot. Bonds5

About 3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid

3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid (PubChem CID 43354788) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is 3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid
PubChem CID43354788
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)Cn1cccnc1=O
InChIInChI=1S/C9H11N3O4/c13-7(10-4-2-8(14)15)6-12-5-1-3-11-9(12)16/h1,3,5H,2,4,6H2,(H,10,13)(H,14,15)
InChIKeyUUGYJOFVKNOICL-UHFFFAOYSA-N
XLogP-1.17
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Fermium;2-[2-(oxomethylamino)ethyl-[3-(2-oxopyrimidin-1-yl)propanoyl]amino]acetic acid
CID 166460116
3-(2H-pyrimidine-1-carbonylamino)propanoic acid
CID 173207690
2-[3-(2-Oxopyrimidin-1-yl)propanoylamino]acetic acid
CID 175842758
2-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]acetic acid
CID 43354446
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-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 43360866
N-(3-hydroxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 43428127
2-[[2-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]acetic acid
CID 43465323
2-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 43469357
3-[4-[2-(2-Oxopyrimidin-1-yl)acetyl]piperazin-1-yl]propanoic acid
CID 43522017
3-[Cyclopropyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid
CID 54926593

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid?
The IUPAC name of 3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid (CID 43354788) is 3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid is O=C(O)CCNC(=O)Cn1cccnc1=O.
What is the InChIKey of 3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid?
The InChIKey is UUGYJOFVKNOICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4/c13-7(10-4-2-8(14)15)6-12-5-1-3-11-9(12)16/h1,3,5H,2,4,6H2,(H,10,13)(H,14,15).
What are the key properties of 3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid?
3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid has a molecular weight of 225.20 g/mol, XLogP of -1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 43354788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).