3-[(2-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)amino]propanoic acid

C10H13N3O3 — CID 83839015

IUPAC3-[(2-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)amino]propanoic acid
SMILESCc1nc2c(c(NCCC(=O)O)n1)COC2
InChIInChI=1S/C10H13N3O3/c1-6-12-8-5-16-4-7(8)10(13-6)11-3-2-9(14)15/h2-5H2,1H3,(H,14,15)(H,11,12,13)
InChIKeyOMFOMUAIBHURDU-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.70
Rot. Bonds4

About 3-[(2-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)amino]propanoic acid

3-[(2-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)amino]propanoic acid (PubChem CID 83839015) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 3-[(2-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(2-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)amino]propanoic acid
PubChem CID83839015
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name3-[(2-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)amino]propanoic acid
SMILESCc1nc2c(c(NCCC(=O)O)n1)COC2
InChIInChI=1S/C10H13N3O3/c1-6-12-8-5-16-4-7(8)10(13-6)11-3-2-9(14)15/h2-5H2,1H3,(H,14,15)(H,11,12,13)
InChIKeyOMFOMUAIBHURDU-UHFFFAOYSA-N
XLogP0.70
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)amino]propanoic acid?
The IUPAC name of 3-[(2-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)amino]propanoic acid (CID 83839015) is 3-[(2-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)amino]propanoic acid.
What is the SMILES notation for 3-[(2-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)amino]propanoic acid?
The canonical SMILES for 3-[(2-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)amino]propanoic acid is Cc1nc2c(c(NCCC(=O)O)n1)COC2.
What is the InChIKey of 3-[(2-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)amino]propanoic acid?
The InChIKey is OMFOMUAIBHURDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-6-12-8-5-16-4-7(8)10(13-6)11-3-2-9(14)15/h2-5H2,1H3,(H,14,15)(H,11,12,13).
What are the key properties of 3-[(2-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)amino]propanoic acid?
3-[(2-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)amino]propanoic acid has a molecular weight of 223.23 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)amino]propanoic acid is sourced from PubChem (CID 83839015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).