(2R)-2-[2-oxo-2-(pyrimidin-2-ylamino)ethoxy]propanoic acid

C9H11N3O4 — CID 104874956

IUPAC(2R)-2-[2-oxo-2-(pyrimidin-2-ylamino)ethoxy]propanoic acid
SMILESC[C@@H](OCC(=O)Nc1ncccn1)C(=O)O
InChIInChI=1S/C9H11N3O4/c1-6(8(14)15)16-5-7(13)12-9-10-3-2-4-11-9/h2-4,6H,5H2,1H3,(H,14,15)(H,10,11,12,13)/t6-/m1/s1
InChIKeyFTQUNNZRAWXHLN-ZCFIWIBFSA-N
MW225.20 g/mol
LogP-0.10
Rot. Bonds5

About (2R)-2-[2-oxo-2-(pyrimidin-2-ylamino)ethoxy]propanoic acid

(2R)-2-[2-oxo-2-(pyrimidin-2-ylamino)ethoxy]propanoic acid (PubChem CID 104874956) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is (2R)-2-[2-oxo-2-(pyrimidin-2-ylamino)ethoxy]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[2-oxo-2-(pyrimidin-2-ylamino)ethoxy]propanoic acid
PubChem CID104874956
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name(2R)-2-[2-oxo-2-(pyrimidin-2-ylamino)ethoxy]propanoic acid
SMILESC[C@@H](OCC(=O)Nc1ncccn1)C(=O)O
InChIInChI=1S/C9H11N3O4/c1-6(8(14)15)16-5-7(13)12-9-10-3-2-4-11-9/h2-4,6H,5H2,1H3,(H,14,15)(H,10,11,12,13)/t6-/m1/s1
InChIKeyFTQUNNZRAWXHLN-ZCFIWIBFSA-N
XLogP-0.10
TPSA101.41 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 ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[2-oxo-2-(2-pyridin-2-ylhydrazinyl)ethoxy]propanoic acid
CID 104876174
(2S)-2-[2-(2-carbamoylanilino)-2-oxoethoxy]propanoic acid
CID 104875798
(2S)-2-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethoxy]propanoic acid
CID 104876136
(2R)-2-[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethoxy]propanoic acid
CID 104875003
methyl 4-oxo-4-(pyrimidin-2-ylamino)butanoate
CID 110756659
3-[2-oxo-2-(pyrimidin-2-ylamino)ethoxy]pyridine-2-carboxylic acid
CID 61380261
(2R)-2-[2-oxo-2-(2-phenylpropylamino)ethoxy]propanoic acid
CID 104875498
2-phenyl-N-pyrimidin-2-ylacetamide
CID 3423290
2-(2,4-dimethylphenoxy)-N-pyrimidin-2-ylacetamide
CID 891327
2-(2-aminophenoxy)-N-pyrimidin-2-ylacetamide
CID 24701689
2-methyl-3-[methyl(pyrimidin-2-ylcarbamoyl)amino]propanoic acid
CID 55007752
2-(2-aminopropylsulfanyl)-N-pyrimidin-2-ylacetamide
CID 66217003

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-oxo-2-(pyrimidin-2-ylamino)ethoxy]propanoic acid?
The IUPAC name of (2R)-2-[2-oxo-2-(pyrimidin-2-ylamino)ethoxy]propanoic acid (CID 104874956) is (2R)-2-[2-oxo-2-(pyrimidin-2-ylamino)ethoxy]propanoic acid.
What is the SMILES notation for (2R)-2-[2-oxo-2-(pyrimidin-2-ylamino)ethoxy]propanoic acid?
The canonical SMILES for (2R)-2-[2-oxo-2-(pyrimidin-2-ylamino)ethoxy]propanoic acid is C[C@@H](OCC(=O)Nc1ncccn1)C(=O)O.
What is the InChIKey of (2R)-2-[2-oxo-2-(pyrimidin-2-ylamino)ethoxy]propanoic acid?
The InChIKey is FTQUNNZRAWXHLN-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H11N3O4/c1-6(8(14)15)16-5-7(13)12-9-10-3-2-4-11-9/h2-4,6H,5H2,1H3,(H,14,15)(H,10,11,12,13)/t6-/m1/s1.
What are the key properties of (2R)-2-[2-oxo-2-(pyrimidin-2-ylamino)ethoxy]propanoic acid?
(2R)-2-[2-oxo-2-(pyrimidin-2-ylamino)ethoxy]propanoic acid has a molecular weight of 225.20 g/mol, XLogP of -0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-oxo-2-(pyrimidin-2-ylamino)ethoxy]propanoic acid is sourced from PubChem (CID 104874956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).