3-(4-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)propanoic acid

C10H13N3O2 — CID 105460225

IUPAC3-(4-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)propanoic acid
SMILESNc1nc(CCC(=O)O)nc2c1CCC2
InChIInChI=1S/C10H13N3O2/c11-10-6-2-1-3-7(6)12-8(13-10)4-5-9(14)15/h1-5H2,(H,14,15)(H2,11,12,13)
InChIKeyTYJZTKGJJLKQFX-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.56
Rot. Bonds3

About 3-(4-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)propanoic acid

3-(4-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)propanoic acid (PubChem CID 105460225) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 3-(4-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)propanoic acid
PubChem CID105460225
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name3-(4-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)propanoic acid
SMILESNc1nc(CCC(=O)O)nc2c1CCC2
InChIInChI=1S/C10H13N3O2/c11-10-6-2-1-3-7(6)12-8(13-10)4-5-9(14)15/h1-5H2,(H,14,15)(H2,11,12,13)
InChIKeyTYJZTKGJJLKQFX-UHFFFAOYSA-N
XLogP0.56
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)pentanoic acid
CID 134116459
3-(4-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)propanoic acid
CID 105494737
2-(2-methylsulfanylethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 164655249
2-(2-ethoxyethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 106815258
2-[2-(methylamino)ethyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 105476582
2-(2-aminopropyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 105459542
2-[2-(2,2-difluoroethoxy)ethyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 103150346
2-(4-amino-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)acetic acid
CID 105462637
2-(2-aminopropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 105476583
2-[(2-methylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62190657
2-(tert-butylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 65137814
2-[2-(methylamino)propyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 105476585

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)propanoic acid?
The IUPAC name of 3-(4-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)propanoic acid (CID 105460225) is 3-(4-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)propanoic acid.
What is the SMILES notation for 3-(4-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)propanoic acid?
The canonical SMILES for 3-(4-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)propanoic acid is Nc1nc(CCC(=O)O)nc2c1CCC2.
What is the InChIKey of 3-(4-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)propanoic acid?
The InChIKey is TYJZTKGJJLKQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c11-10-6-2-1-3-7(6)12-8(13-10)4-5-9(14)15/h1-5H2,(H,14,15)(H2,11,12,13).
What are the key properties of 3-(4-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)propanoic acid?
3-(4-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)propanoic acid has a molecular weight of 207.23 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)propanoic acid is sourced from PubChem (CID 105460225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).