3-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]propanoic acid

C11H15N3O4 — CID 43170692

IUPAC3-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]propanoic acid
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)NCCC(=O)O
InChIInChI=1S/C11H15N3O4/c1-6-8(7(2)14-11(18)13-6)5-9(15)12-4-3-10(16)17/h3-5H2,1-2H3,(H,12,15)(H,16,17)(H,13,14,18)
InChIKeyFLARPDLUPSGDBR-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.48
Rot. Bonds5

About 3-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]propanoic acid

3-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]propanoic acid (PubChem CID 43170692) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 3-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]propanoic acid
PubChem CID43170692
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name3-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]propanoic acid
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)NCCC(=O)O
InChIInChI=1S/C11H15N3O4/c1-6-8(7(2)14-11(18)13-6)5-9(15)12-4-3-10(16)17/h3-5H2,1-2H3,(H,12,15)(H,16,17)(H,13,14,18)
InChIKeyFLARPDLUPSGDBR-UHFFFAOYSA-N
XLogP-0.48
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-difluoro-3-hydroxypropyl)-2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetamide
CID 106167923
3-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]butanoic acid
CID 43172726
6-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]hexanoic acid
CID 43352982
2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-3-methylbutanoic acid
CID 43354098
2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]acetic acid
CID 43354544
4-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]butanoic acid
CID 43355150
2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]propanoic acid
CID 43355414
2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-methylamino]acetic acid
CID 43356374
4-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-methylamino]butanoic acid
CID 43360163
methyl 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]acetate
CID 43408676
2-[[2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]acetyl]amino]acetic acid
CID 43465472
2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 43467720

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]propanoic acid?
The IUPAC name of 3-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]propanoic acid (CID 43170692) is 3-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 3-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 3-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]propanoic acid is Cc1nc(=O)[nH]c(C)c1CC(=O)NCCC(=O)O.
What is the InChIKey of 3-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]propanoic acid?
The InChIKey is FLARPDLUPSGDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-6-8(7(2)14-11(18)13-6)5-9(15)12-4-3-10(16)17/h3-5H2,1-2H3,(H,12,15)(H,16,17)(H,13,14,18).
What are the key properties of 3-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]propanoic acid?
3-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]propanoic acid has a molecular weight of 253.26 g/mol, XLogP of -0.48, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 43170692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).