2-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)-propan-2-ylamino]acetic acid

C13H15N3O5 — CID 60830861

IUPAC2-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)-propan-2-ylamino]acetic acid
SMILESCc1oc2nc[nH]c(=O)c2c1C(=O)N(CC(=O)O)C(C)C
InChIInChI=1S/C13H15N3O5/c1-6(2)16(4-8(17)18)13(20)9-7(3)21-12-10(9)11(19)14-5-15-12/h5-6H,4H2,1-3H3,(H,17,18)(H,14,15,19)
InChIKeyJNHQJAJKJXGGRW-UHFFFAOYSA-N
MW293.28 g/mol
LogP0.76
Rot. Bonds4

About 2-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)-propan-2-ylamino]acetic acid

2-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)-propan-2-ylamino]acetic acid (PubChem CID 60830861) has the molecular formula C13H15N3O5 and a molecular weight of 293.28 g/mol. Its IUPAC name is 2-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)-propan-2-ylamino]acetic acid
PubChem CID60830861
Molecular FormulaC13H15N3O5
Molecular Weight293.28 g/mol
Exact Mass293.10
IUPAC Name2-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)-propan-2-ylamino]acetic acid
SMILESCc1oc2nc[nH]c(=O)c2c1C(=O)N(CC(=O)O)C(C)C
InChIInChI=1S/C13H15N3O5/c1-6(2)16(4-8(17)18)13(20)9-7(3)21-12-10(9)11(19)14-5-15-12/h5-6H,4H2,1-3H3,(H,17,18)(H,14,15,19)
InChIKeyJNHQJAJKJXGGRW-UHFFFAOYSA-N
XLogP0.76
TPSA116.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)-propan-2-ylamino]acetic acid (CID 60830861) is 2-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)-propan-2-ylamino]acetic acid is Cc1oc2nc[nH]c(=O)c2c1C(=O)N(CC(=O)O)C(C)C.
What is the InChIKey of 2-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)-propan-2-ylamino]acetic acid?
The InChIKey is JNHQJAJKJXGGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O5/c1-6(2)16(4-8(17)18)13(20)9-7(3)21-12-10(9)11(19)14-5-15-12/h5-6H,4H2,1-3H3,(H,17,18)(H,14,15,19).
What are the key properties of 2-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)-propan-2-ylamino]acetic acid?
2-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)-propan-2-ylamino]acetic acid has a molecular weight of 293.28 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)-propan-2-ylamino]acetic acid is sourced from PubChem (CID 60830861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).