(3R,4R)-4-cyclopropyl-1-(6-cyclopropylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid

C15H19N3O2 — CID 164634081

IUPAC(3R,4R)-4-cyclopropyl-1-(6-cyclopropylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CN(c2cc(C3CC3)ncn2)C[C@@H]1C1CC1
InChIInChI=1S/C15H19N3O2/c19-15(20)12-7-18(6-11(12)9-1-2-9)14-5-13(10-3-4-10)16-8-17-14/h5,8-12H,1-4,6-7H2,(H,19,20)/t11-,12+/m1/s1
InChIKeyRGCBTCOXSYLBJY-NEPJUHHUSA-N
MW273.34 g/mol
LogP1.90
Rot. Bonds4

About (3R,4R)-4-cyclopropyl-1-(6-cyclopropylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid

(3R,4R)-4-cyclopropyl-1-(6-cyclopropylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid (PubChem CID 164634081) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is (3R,4R)-4-cyclopropyl-1-(6-cyclopropylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-4-cyclopropyl-1-(6-cyclopropylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
PubChem CID164634081
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name(3R,4R)-4-cyclopropyl-1-(6-cyclopropylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CN(c2cc(C3CC3)ncn2)C[C@@H]1C1CC1
InChIInChI=1S/C15H19N3O2/c19-15(20)12-7-18(6-11(12)9-1-2-9)14-5-13(10-3-4-10)16-8-17-14/h5,8-12H,1-4,6-7H2,(H,19,20)/t11-,12+/m1/s1
InChIKeyRGCBTCOXSYLBJY-NEPJUHHUSA-N
XLogP1.90
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R,4R)-4-cyclopropyl-1-(6-cyclopropylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid with MolForge

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Related Compounds

(3S*,4S*)-4-cyclopropyl-1-[4-methyl-6-(methylamino)-2-pyrimidinyl]-3-pyrrolidinecarboxylic acid
CID 72934948
8-(6-Cyclopropyl-4-pyrimidinyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56901714
8-(6-Cyclopropyl-4-pyrimidinyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72934677
1-(6-Cyclopropylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 91623620
(4R)-2-(6-cyclopropylpyrimidin-4-yl)-2-azaspiro[4.5]decane-4-carboxylic acid
CID 129524488
(3S,4S)-1-(6-cyclopropylpyrimidin-4-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 136588245
(3R,4R)-1-(6-butylpyrimidin-4-yl)-4-cyclopropylpyrrolidine-3-carboxylic acid
CID 164632400
1-(6-Propylpyrimidin-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63710534
1-(6-Propan-2-ylpyrimidin-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63710712
1-(6-Ethylpyrimidin-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63710713
(3S,4S)-4-cyclopropyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxylic acid
CID 86283157
1-(6-Ethyl-5-fluoropyrimidin-4-yl)-3-propylpyrrolidine-3-carboxylic acid
CID 108150768

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-cyclopropyl-1-(6-cyclopropylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R,4R)-4-cyclopropyl-1-(6-cyclopropylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid (CID 164634081) is (3R,4R)-4-cyclopropyl-1-(6-cyclopropylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R,4R)-4-cyclopropyl-1-(6-cyclopropylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R,4R)-4-cyclopropyl-1-(6-cyclopropylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid is O=C(O)[C@H]1CN(c2cc(C3CC3)ncn2)C[C@@H]1C1CC1.
What is the InChIKey of (3R,4R)-4-cyclopropyl-1-(6-cyclopropylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is RGCBTCOXSYLBJY-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H19N3O2/c19-15(20)12-7-18(6-11(12)9-1-2-9)14-5-13(10-3-4-10)16-8-17-14/h5,8-12H,1-4,6-7H2,(H,19,20)/t11-,12+/m1/s1.
What are the key properties of (3R,4R)-4-cyclopropyl-1-(6-cyclopropylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
(3R,4R)-4-cyclopropyl-1-(6-cyclopropylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 273.34 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-cyclopropyl-1-(6-cyclopropylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 164634081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).