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

C9H11N3O5 — CID 43357744

IUPAC3-hydroxy-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid
SMILESO=C(Cn1cccnc1=O)NC(CO)C(=O)O
InChIInChI=1S/C9H11N3O5/c13-5-6(8(15)16)11-7(14)4-12-3-1-2-10-9(12)17/h1-3,6,13H,4-5H2,(H,11,14)(H,15,16)
InChIKeyOKLNZCJWYJAEEX-UHFFFAOYSA-N
MW241.20 g/mol
LogP-2.19
Rot. Bonds5

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

3-hydroxy-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid (PubChem CID 43357744) has the molecular formula C9H11N3O5 and a molecular weight of 241.20 g/mol. Its IUPAC name is 3-hydroxy-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid
PubChem CID43357744
Molecular FormulaC9H11N3O5
Molecular Weight241.20 g/mol
Exact Mass241.07
IUPAC Name3-hydroxy-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid
SMILESO=C(Cn1cccnc1=O)NC(CO)C(=O)O
InChIInChI=1S/C9H11N3O5/c13-5-6(8(15)16)11-7(14)4-12-3-1-2-10-9(12)17/h1-3,6,13H,4-5H2,(H,11,14)(H,15,16)
InChIKeyOKLNZCJWYJAEEX-UHFFFAOYSA-N
XLogP-2.19
TPSA121.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 5-2.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[2-(4-amino-2-oxopyrimidin-1-yl)propanoylamino]-3-hydroxypropanoic acid
CID 91341012
(2R)-2-[2-aminoethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]-3-hydroxypropanoic acid
CID 171442584
2-[2-Aminoethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]-3-hydroxypropanoic acid
CID 174229698
diethyl 2-acetamidopropanedioate;2H-pyrimidine-1-carboxylic acid
CID 174947341
3-Hydroxy-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 43353680
2-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]acetic acid
CID 43354446
2-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]propanoic acid
CID 43355310
N-(2-hydroxyethyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 43428125
N-(1-hydroxybutan-2-yl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 43428130
N-(1-hydroxypropan-2-yl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 43428142
2-[[2-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]acetic acid
CID 43465323
2-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 43469357

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid?
The IUPAC name of 3-hydroxy-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid (CID 43357744) is 3-hydroxy-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 3-hydroxy-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 3-hydroxy-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid is O=C(Cn1cccnc1=O)NC(CO)C(=O)O.
What is the InChIKey of 3-hydroxy-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid?
The InChIKey is OKLNZCJWYJAEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O5/c13-5-6(8(15)16)11-7(14)4-12-3-1-2-10-9(12)17/h1-3,6,13H,4-5H2,(H,11,14)(H,15,16).
What are the key properties of 3-hydroxy-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid?
3-hydroxy-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid has a molecular weight of 241.20 g/mol, XLogP of -2.19, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 43357744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).