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

C10H13N3O4 — CID 60988512

IUPAC3-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)Cn1cccnc1=O
InChIInChI=1S/C10H13N3O4/c1-12(6-3-9(15)16)8(14)7-13-5-2-4-11-10(13)17/h2,4-5H,3,6-7H2,1H3,(H,15,16)
InChIKeyGOYPZDAUJSSVOW-UHFFFAOYSA-N
MW239.23 g/mol
LogP-0.82
Rot. Bonds5

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

3-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid (PubChem CID 60988512) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 3-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid
PubChem CID60988512
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name3-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)Cn1cccnc1=O
InChIInChI=1S/C10H13N3O4/c1-12(6-3-9(15)16)8(14)7-13-5-2-4-11-10(13)17/h2,4-5H,3,6-7H2,1H3,(H,15,16)
InChIKeyGOYPZDAUJSSVOW-UHFFFAOYSA-N
XLogP-0.82
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-Oxopyrimidin-1-yl)propanoic acid
CID 16790969
3-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]propanoic acid
CID 43354788
2-[Methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid
CID 43356265
4-[Methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 43360045
3-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 43360866
3-[4-[2-(2-Oxopyrimidin-1-yl)acetyl]piperazin-1-yl]propanoic acid
CID 43522017
Methyl 3-[ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate
CID 54899024
2-[Ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid
CID 54901216
2-[Butan-2-yl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid
CID 54925779
3-[Cyclopropyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid
CID 54926593
Methyl 3-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate
CID 54978394
2-Methyl-3-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid
CID 55008153

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid?
The IUPAC name of 3-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid (CID 60988512) is 3-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 3-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 3-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid is CN(CCC(=O)O)C(=O)Cn1cccnc1=O.
What is the InChIKey of 3-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid?
The InChIKey is GOYPZDAUJSSVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-12(6-3-9(15)16)8(14)7-13-5-2-4-11-10(13)17/h2,4-5H,3,6-7H2,1H3,(H,15,16).
What are the key properties of 3-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid?
3-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid has a molecular weight of 239.23 g/mol, XLogP of -0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 60988512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).