3-amino-1-(4-propan-2-yloxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid

C12H18N4O3 — CID 107325349

IUPAC3-amino-1-(4-propan-2-yloxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid
SMILESCC(C)Oc1ccnc(N2CCC(N)(C(=O)O)C2)n1
InChIInChI=1S/C12H18N4O3/c1-8(2)19-9-3-5-14-11(15-9)16-6-4-12(13,7-16)10(17)18/h3,5,8H,4,6-7,13H2,1-2H3,(H,17,18)
InChIKeyLUGVCLGAJPUKTN-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.26
Rot. Bonds4

About 3-amino-1-(4-propan-2-yloxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid

3-amino-1-(4-propan-2-yloxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid (PubChem CID 107325349) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-amino-1-(4-propan-2-yloxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-(4-propan-2-yloxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid
PubChem CID107325349
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name3-amino-1-(4-propan-2-yloxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid
SMILESCC(C)Oc1ccnc(N2CCC(N)(C(=O)O)C2)n1
InChIInChI=1S/C12H18N4O3/c1-8(2)19-9-3-5-14-11(15-9)16-6-4-12(13,7-16)10(17)18/h3,5,8H,4,6-7,13H2,1-2H3,(H,17,18)
InChIKeyLUGVCLGAJPUKTN-UHFFFAOYSA-N
XLogP0.26
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-1-(4-ethoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 107325451
3-ethyl-1-(4-propan-2-yloxypyrimidin-2-yl)azetidin-3-amine
CID 112639508
1-(4-ethoxypyrimidin-2-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983041
3-amino-1-(4-ethoxy-6-methylpyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 107325390
2-[1-(4-propan-2-yloxypyrimidin-2-yl)pyrrolidin-3-yl]acetic acid
CID 112636156
1-(4-propan-2-yloxypyrimidin-2-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977681
3-amino-1-(2-methyl-4-pyridinyl)pyrrolidine-3-carboxylic acid
CID 107325393
1-(4-methoxypyrimidin-2-yl)-3-propylpyrrolidine-3-carboxylic acid
CID 55166350
7-(4-propan-2-yloxypyrimidin-2-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 115974159
2-[4-(1-bromoethyl)piperidin-1-yl]-4-propan-2-yloxypyrimidine
CID 106838630
3-amino-1-(6-methoxy-2-pyridinyl)pyrrolidine-3-carboxylic acid
CID 107325371
1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-3-amine
CID 112638532

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-propan-2-yloxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-(4-propan-2-yloxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid (CID 107325349) is 3-amino-1-(4-propan-2-yloxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-(4-propan-2-yloxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-(4-propan-2-yloxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid is CC(C)Oc1ccnc(N2CCC(N)(C(=O)O)C2)n1.
What is the InChIKey of 3-amino-1-(4-propan-2-yloxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is LUGVCLGAJPUKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-8(2)19-9-3-5-14-11(15-9)16-6-4-12(13,7-16)10(17)18/h3,5,8H,4,6-7,13H2,1-2H3,(H,17,18).
What are the key properties of 3-amino-1-(4-propan-2-yloxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid?
3-amino-1-(4-propan-2-yloxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-propan-2-yloxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107325349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).