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

C9H11N3O4 — CID 61132202

IUPAC(2S)-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid
SMILESC[C@H](NC(=O)Cn1cccnc1=O)C(=O)O
InChIInChI=1S/C9H11N3O4/c1-6(8(14)15)11-7(13)5-12-4-2-3-10-9(12)16/h2-4,6H,5H2,1H3,(H,11,13)(H,14,15)/t6-/m0/s1
InChIKeyAIMGFZGUIGKCEN-LURJTMIESA-N
MW225.20 g/mol
LogP-1.17
Rot. Bonds4

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

(2S)-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid (PubChem CID 61132202) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is (2S)-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid
PubChem CID61132202
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name(2S)-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid
SMILESC[C@H](NC(=O)Cn1cccnc1=O)C(=O)O
InChIInChI=1S/C9H11N3O4/c1-6(8(14)15)11-7(13)5-12-4-2-3-10-9(12)16/h2-4,6H,5H2,1H3,(H,11,13)(H,14,15)/t6-/m0/s1
InChIKeyAIMGFZGUIGKCEN-LURJTMIESA-N
XLogP-1.17
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,3,3-Trifluoro-2-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid
CID 79795650
2-[2-aminoethyl-[2-[(2-oxo-1H-pyrimidin-6-yl)amino]acetyl]amino]acetic acid
CID 53837262
2-(2-oxopyrimidin-1-yl)-N-propan-2-ylacetamide
CID 60758847
Fermium;2-[2-(oxomethylamino)ethyl-[3-(2-oxopyrimidin-1-yl)propanoyl]amino]acetic acid
CID 166460116
2-[3-(2-Oxopyrimidin-1-yl)propanoylamino]acetic acid
CID 175842758
4-Methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid
CID 43170148
3-Methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 43170393
4-Methylsulfanyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 43353420
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
3-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]propanoic acid
CID 43354788
4-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 43355048

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid?
The IUPAC name of (2S)-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid (CID 61132202) is (2S)-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid is C[C@H](NC(=O)Cn1cccnc1=O)C(=O)O.
What is the InChIKey of (2S)-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid?
The InChIKey is AIMGFZGUIGKCEN-LURJTMIESA-N. The full InChI is InChI=1S/C9H11N3O4/c1-6(8(14)15)11-7(13)5-12-4-2-3-10-9(12)16/h2-4,6H,5H2,1H3,(H,11,13)(H,14,15)/t6-/m0/s1.
What are the key properties of (2S)-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid?
(2S)-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid has a molecular weight of 225.20 g/mol, XLogP of -1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 61132202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).