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

C12H15N3O2 — CID 62832412

IUPAC2-[cyclopropyl(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]acetic acid
SMILESO=C(O)CN(c1ncnc2c1CCC2)C1CC1
InChIInChI=1S/C12H15N3O2/c16-11(17)6-15(8-4-5-8)12-9-2-1-3-10(9)13-7-14-12/h7-8H,1-6H2,(H,16,17)
InChIKeyYZKCGNJKCKQSOB-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.02
Rot. Bonds4

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

2-[cyclopropyl(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]acetic acid (PubChem CID 62832412) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-[cyclopropyl(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]acetic acid
PubChem CID62832412
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name2-[cyclopropyl(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]acetic acid
SMILESO=C(O)CN(c1ncnc2c1CCC2)C1CC1
InChIInChI=1S/C12H15N3O2/c16-11(17)6-15(8-4-5-8)12-9-2-1-3-10(9)13-7-14-12/h7-8H,1-6H2,(H,16,17)
InChIKeyYZKCGNJKCKQSOB-UHFFFAOYSA-N
XLogP1.02
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]acetic acid?
The IUPAC name of 2-[cyclopropyl(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]acetic acid (CID 62832412) is 2-[cyclopropyl(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]acetic acid is O=C(O)CN(c1ncnc2c1CCC2)C1CC1.
What is the InChIKey of 2-[cyclopropyl(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]acetic acid?
The InChIKey is YZKCGNJKCKQSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c16-11(17)6-15(8-4-5-8)12-9-2-1-3-10(9)13-7-14-12/h7-8H,1-6H2,(H,16,17).
What are the key properties of 2-[cyclopropyl(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]acetic acid?
2-[cyclopropyl(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]acetic acid has a molecular weight of 233.27 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]acetic acid is sourced from PubChem (CID 62832412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).