3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propanoic acid

C10H13N3O2 — CID 62833489

IUPAC3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propanoic acid
SMILESO=C(O)CCNc1ncnc2c1CCC2
InChIInChI=1S/C10H13N3O2/c14-9(15)4-5-11-10-7-2-1-3-8(7)12-6-13-10/h6H,1-5H2,(H,14,15)(H,11,12,13)
InChIKeyVHZCCAYUCNGTRV-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.85
Rot. Bonds4

About 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propanoic acid

3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propanoic acid (PubChem CID 62833489) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propanoic acid.

Molecular Properties

Compound Name3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propanoic acid
PubChem CID62833489
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propanoic acid
SMILESO=C(O)CCNc1ncnc2c1CCC2
InChIInChI=1S/C10H13N3O2/c14-9(15)4-5-11-10-7-2-1-3-8(7)12-6-13-10/h6H,1-5H2,(H,14,15)(H,11,12,13)
InChIKeyVHZCCAYUCNGTRV-UHFFFAOYSA-N
XLogP0.85
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propanoic acid?
The IUPAC name of 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propanoic acid (CID 62833489) is 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propanoic acid.
What is the SMILES notation for 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propanoic acid?
The canonical SMILES for 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propanoic acid is O=C(O)CCNc1ncnc2c1CCC2.
What is the InChIKey of 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propanoic acid?
The InChIKey is VHZCCAYUCNGTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c14-9(15)4-5-11-10-7-2-1-3-8(7)12-6-13-10/h6H,1-5H2,(H,14,15)(H,11,12,13).
What are the key properties of 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propanoic acid?
3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propanoic acid has a molecular weight of 207.23 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propanoic acid is sourced from PubChem (CID 62833489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).