cis-(1R,2R)-2-[(4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)methyl]cyclopropane-1-carboxylic acid

C11H11N3O3 — CID 166376036

IUPACcis-(1R,2R)-2-[(4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)methyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H]1Cn1cnc2[nH]ccc2c1=O
InChIInChI=1S/C11H11N3O3/c15-10-7-1-2-12-9(7)13-5-14(10)4-6-3-8(6)11(16)17/h1-2,5-6,8,12H,3-4H2,(H,16,17)/t6-,8+/m0/s1
InChIKeyMOIDMYGRWKCANN-POYBYMJQSA-N
MW233.23 g/mol
LogP0.45
Rot. Bonds3

About cis-(1R,2R)-2-[(4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)methyl]cyclopropane-1-carboxylic acid

cis-(1R,2R)-2-[(4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)methyl]cyclopropane-1-carboxylic acid (PubChem CID 166376036) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is cis-(1R,2R)-2-[(4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2R)-2-[(4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)methyl]cyclopropane-1-carboxylic acid
PubChem CID166376036
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Namecis-(1R,2R)-2-[(4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)methyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H]1Cn1cnc2[nH]ccc2c1=O
InChIInChI=1S/C11H11N3O3/c15-10-7-1-2-12-9(7)13-5-14(10)4-6-3-8(6)11(16)17/h1-2,5-6,8,12H,3-4H2,(H,16,17)/t6-,8+/m0/s1
InChIKeyMOIDMYGRWKCANN-POYBYMJQSA-N
XLogP0.45
TPSA87.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze cis-(1R,2R)-2-[(4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)methyl]cyclopropane-1-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-[(4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1R,2R)-2-[(4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)methyl]cyclopropane-1-carboxylic acid (CID 166376036) is cis-(1R,2R)-2-[(4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2R)-2-[(4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2R)-2-[(4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)methyl]cyclopropane-1-carboxylic acid is O=C(O)[C@@H]1C[C@H]1Cn1cnc2[nH]ccc2c1=O.
What is the InChIKey of cis-(1R,2R)-2-[(4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is MOIDMYGRWKCANN-POYBYMJQSA-N. The full InChI is InChI=1S/C11H11N3O3/c15-10-7-1-2-12-9(7)13-5-14(10)4-6-3-8(6)11(16)17/h1-2,5-6,8,12H,3-4H2,(H,16,17)/t6-,8+/m0/s1.
What are the key properties of cis-(1R,2R)-2-[(4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)methyl]cyclopropane-1-carboxylic acid?
cis-(1R,2R)-2-[(4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 233.23 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-[(4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 166376036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).