3-[[2-(2-oxopyrimidin-1-yl)acetyl]-propan-2-ylamino]propanoic acid

C12H17N3O4 — CID 60831769

IUPAC3-[[2-(2-oxopyrimidin-1-yl)acetyl]-propan-2-ylamino]propanoic acid
SMILESCC(C)N(CCC(=O)O)C(=O)Cn1cccnc1=O
InChIInChI=1S/C12H17N3O4/c1-9(2)15(7-4-11(17)18)10(16)8-14-6-3-5-13-12(14)19/h3,5-6,9H,4,7-8H2,1-2H3,(H,17,18)
InChIKeyTZBGFYPYORWJHD-UHFFFAOYSA-N
MW267.28 g/mol
LogP-0.05
Rot. Bonds6

About 3-[[2-(2-oxopyrimidin-1-yl)acetyl]-propan-2-ylamino]propanoic acid

3-[[2-(2-oxopyrimidin-1-yl)acetyl]-propan-2-ylamino]propanoic acid (PubChem CID 60831769) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 3-[[2-(2-oxopyrimidin-1-yl)acetyl]-propan-2-ylamino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(2-oxopyrimidin-1-yl)acetyl]-propan-2-ylamino]propanoic acid
PubChem CID60831769
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name3-[[2-(2-oxopyrimidin-1-yl)acetyl]-propan-2-ylamino]propanoic acid
SMILESCC(C)N(CCC(=O)O)C(=O)Cn1cccnc1=O
InChIInChI=1S/C12H17N3O4/c1-9(2)15(7-4-11(17)18)10(16)8-14-6-3-5-13-12(14)19/h3,5-6,9H,4,7-8H2,1-2H3,(H,17,18)
InChIKeyTZBGFYPYORWJHD-UHFFFAOYSA-N
XLogP-0.05
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]propanoic acid
CID 43354788
2-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]propanoic acid
CID 43355310
2-[Methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid
CID 43356265
4-[Methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 43360045
3-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 43360866
3-[4-[2-(2-Oxopyrimidin-1-yl)acetyl]piperazin-1-yl]propanoic acid
CID 43522017
Methyl 3-[ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate
CID 54899024
2-[Ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid
CID 54901216
N-(3-hydroxypropyl)-2-(2-oxopyrimidin-1-yl)-N-propan-2-ylacetamide
CID 54917242
2-[Butan-2-yl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid
CID 54925779
3-[Cyclopropyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid
CID 54926593
2-[Cyclopropyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid
CID 54946218

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-oxopyrimidin-1-yl)acetyl]-propan-2-ylamino]propanoic acid?
The IUPAC name of 3-[[2-(2-oxopyrimidin-1-yl)acetyl]-propan-2-ylamino]propanoic acid (CID 60831769) is 3-[[2-(2-oxopyrimidin-1-yl)acetyl]-propan-2-ylamino]propanoic acid.
What is the SMILES notation for 3-[[2-(2-oxopyrimidin-1-yl)acetyl]-propan-2-ylamino]propanoic acid?
The canonical SMILES for 3-[[2-(2-oxopyrimidin-1-yl)acetyl]-propan-2-ylamino]propanoic acid is CC(C)N(CCC(=O)O)C(=O)Cn1cccnc1=O.
What is the InChIKey of 3-[[2-(2-oxopyrimidin-1-yl)acetyl]-propan-2-ylamino]propanoic acid?
The InChIKey is TZBGFYPYORWJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-9(2)15(7-4-11(17)18)10(16)8-14-6-3-5-13-12(14)19/h3,5-6,9H,4,7-8H2,1-2H3,(H,17,18).
What are the key properties of 3-[[2-(2-oxopyrimidin-1-yl)acetyl]-propan-2-ylamino]propanoic acid?
3-[[2-(2-oxopyrimidin-1-yl)acetyl]-propan-2-ylamino]propanoic acid has a molecular weight of 267.28 g/mol, XLogP of -0.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-oxopyrimidin-1-yl)acetyl]-propan-2-ylamino]propanoic acid is sourced from PubChem (CID 60831769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).