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

C9H11N3O4 — CID 43356265

IUPAC2-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid
SMILESCN(CC(=O)O)C(=O)Cn1cccnc1=O
InChIInChI=1S/C9H11N3O4/c1-11(6-8(14)15)7(13)5-12-4-2-3-10-9(12)16/h2-4H,5-6H2,1H3,(H,14,15)
InChIKeyGANJKNGLCQDIEI-UHFFFAOYSA-N
MW225.20 g/mol
LogP-1.21
Rot. Bonds4

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

2-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid (PubChem CID 43356265) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is 2-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid
PubChem CID43356265
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name2-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid
SMILESCN(CC(=O)O)C(=O)Cn1cccnc1=O
InChIInChI=1S/C9H11N3O4/c1-11(6-8(14)15)7(13)5-12-4-2-3-10-9(12)16/h2-4H,5-6H2,1H3,(H,14,15)
InChIKeyGANJKNGLCQDIEI-UHFFFAOYSA-N
XLogP-1.21
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 5-1.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-Oxo-1,2-dihydropyrimidin-1-yl)acetic acid
CID 1096409
2-[[2-(2-Oxopyrimidin-1-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258965
2H-pyrimidine-1,2-dicarboxylic acid
CID 19769670
2-[formyl-[2-[methyl-[(Z)-1-[(Z)-prop-2-enylideneamino]prop-1-enyl]amino]ethyl]amino]acetic acid
CID 143199348
2-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]acetic acid
CID 43354446
2-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]propanoic acid
CID 43355310
4-[Methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 43360045
Methyl 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate
CID 43431551
Methyl 2-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate
CID 43431615
2-[[2-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]acetic acid
CID 43465323
2-[4-[2-(2-Oxopyrimidin-1-yl)acetyl]piperazin-1-yl]acetic acid
CID 43521269
N-(2-hydroxyethyl)-2-(2-oxopyrimidin-1-yl)-N-propan-2-ylacetamide
CID 43573352

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid (CID 43356265) is 2-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid is CN(CC(=O)O)C(=O)Cn1cccnc1=O.
What is the InChIKey of 2-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid?
The InChIKey is GANJKNGLCQDIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4/c1-11(6-8(14)15)7(13)5-12-4-2-3-10-9(12)16/h2-4H,5-6H2,1H3,(H,14,15).
What are the key properties of 2-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid?
2-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid has a molecular weight of 225.20 g/mol, XLogP of -1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 43356265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).