2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid

C8H11N3O3 — CID 135468165

IUPAC2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid
SMILESCc1cc(=O)[nH]c(NC(C)C(=O)O)n1
InChIInChI=1S/C8H11N3O3/c1-4-3-6(12)11-8(9-4)10-5(2)7(13)14/h3,5H,1-2H3,(H,13,14)(H2,9,10,11,12)
InChIKeyCXEHOESNMVVTPL-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.04
Rot. Bonds3

About 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid

2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid (PubChem CID 135468165) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid
PubChem CID135468165
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid
SMILESCc1cc(=O)[nH]c(NC(C)C(=O)O)n1
InChIInChI=1S/C8H11N3O3/c1-4-3-6(12)11-8(9-4)10-5(2)7(13)14/h3,5H,1-2H3,(H,13,14)(H2,9,10,11,12)
InChIKeyCXEHOESNMVVTPL-UHFFFAOYSA-N
XLogP-0.04
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Fluoro-6-oxo-1,6-dihydro-pyrimidin-2-ylamino)-propionic acid
CID 135403532
2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)amino]acetic acid
CID 135449770
(2S)-2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid
CID 135674882
(2R)-2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid
CID 135674884
3-methyl-2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]amino]butanoic acid
CID 136350749
2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]amino]pentanoic acid
CID 136388239
2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]amino]butanoic acid
CID 136388267
2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]amino]propanoic acid
CID 136388270
3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid
CID 135778559
3-[[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]-2-oxoethyl]amino]propanoic acid
CID 156282887
2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)amino]acetic acid
CID 169040483
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]acetic acid
CID 179046482

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid?
The IUPAC name of 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid (CID 135468165) is 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid.
What is the SMILES notation for 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid?
The canonical SMILES for 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid is Cc1cc(=O)[nH]c(NC(C)C(=O)O)n1.
What is the InChIKey of 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid?
The InChIKey is CXEHOESNMVVTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-4-3-6(12)11-8(9-4)10-5(2)7(13)14/h3,5H,1-2H3,(H,13,14)(H2,9,10,11,12).
What are the key properties of 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid?
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid has a molecular weight of 197.19 g/mol, XLogP of -0.04, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid is sourced from PubChem (CID 135468165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).