3-[5-(carboxymethyl)pyrimidin-2-yl]propanoic acid

C9H10N2O4 — CID 14056318

IUPAC3-[5-(carboxymethyl)pyrimidin-2-yl]propanoic acid
SMILESO=C(O)CCc1ncc(CC(=O)O)cn1
InChIInChI=1S/C9H10N2O4/c12-8(13)2-1-7-10-4-6(5-11-7)3-9(14)15/h4-5H,1-3H2,(H,12,13)(H,14,15)
InChIKeyPCUJRSOEZARBRJ-UHFFFAOYSA-N
MW210.19 g/mol
LogP0.12
Rot. Bonds5

About 3-[5-(carboxymethyl)pyrimidin-2-yl]propanoic acid

3-[5-(carboxymethyl)pyrimidin-2-yl]propanoic acid (PubChem CID 14056318) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is 3-[5-(carboxymethyl)pyrimidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(carboxymethyl)pyrimidin-2-yl]propanoic acid
PubChem CID14056318
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Name3-[5-(carboxymethyl)pyrimidin-2-yl]propanoic acid
SMILESO=C(O)CCc1ncc(CC(=O)O)cn1
InChIInChI=1S/C9H10N2O4/c12-8(13)2-1-7-10-4-6(5-11-7)3-9(14)15/h4-5H,1-3H2,(H,12,13)(H,14,15)
InChIKeyPCUJRSOEZARBRJ-UHFFFAOYSA-N
XLogP0.12
TPSA100.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromopyrimidin-5-yl)acetic acid
CID 119023982
3-(6-methyl-1,2,4-triazin-3-yl)propanoic acid
CID 82413919
3-(2-tert-butylpyrimidin-5-yl)propanoic acid
CID 82395371
2-(2-propan-2-yloxypyrimidin-5-yl)acetic acid
CID 83879723
10-(5-chloropyrimidin-2-yl)decanoic acid
CID 150177682
2-[2-(propan-2-ylamino)pyrimidin-5-yl]acetic acid
CID 84666078
3-(1,2-oxazol-4-yl)propanoic acid
CID 23006336
2-[2-(2,4,6-trichlorophenyl)pyrimidin-5-yl]acetic acid
CID 118824949
2-[6-(2-phenylethyl)-3-pyridinyl]acetic acid
CID 117001540
3-[2-(cyclopropylamino)pyrimidin-5-yl]propanoic acid
CID 84675079
3-[4-chloro-2-(cyclopropylmethyl)pyrimidin-5-yl]propanoic acid
CID 96591068
2-[6-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 51695709

Frequently Asked Questions

What is the IUPAC name of 3-[5-(carboxymethyl)pyrimidin-2-yl]propanoic acid?
The IUPAC name of 3-[5-(carboxymethyl)pyrimidin-2-yl]propanoic acid (CID 14056318) is 3-[5-(carboxymethyl)pyrimidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[5-(carboxymethyl)pyrimidin-2-yl]propanoic acid?
The canonical SMILES for 3-[5-(carboxymethyl)pyrimidin-2-yl]propanoic acid is O=C(O)CCc1ncc(CC(=O)O)cn1.
What is the InChIKey of 3-[5-(carboxymethyl)pyrimidin-2-yl]propanoic acid?
The InChIKey is PCUJRSOEZARBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4/c12-8(13)2-1-7-10-4-6(5-11-7)3-9(14)15/h4-5H,1-3H2,(H,12,13)(H,14,15).
What are the key properties of 3-[5-(carboxymethyl)pyrimidin-2-yl]propanoic acid?
3-[5-(carboxymethyl)pyrimidin-2-yl]propanoic acid has a molecular weight of 210.19 g/mol, XLogP of 0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(carboxymethyl)pyrimidin-2-yl]propanoic acid is sourced from PubChem (CID 14056318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).