(3R,4R)-4-cyclopropyl-1-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]pyrrolidine-3-carboxylic acid

C15H19N3O4 — CID 133112153

IUPAC(3R,4R)-4-cyclopropyl-1-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]pyrrolidine-3-carboxylic acid
SMILESCc1ncc(CC(=O)N2C[C@H](C(=O)O)[C@@H](C3CC3)C2)c(=O)[nH]1
InChIInChI=1S/C15H19N3O4/c1-8-16-5-10(14(20)17-8)4-13(19)18-6-11(9-2-3-9)12(7-18)15(21)22/h5,9,11-12H,2-4,6-7H2,1H3,(H,21,22)(H,16,17,20)/t11-,12+/m1/s1
InChIKeyJDMRRASMLOONIO-NEPJUHHUSA-N
MW305.33 g/mol
LogP0.19
Rot. Bonds4

About (3R,4R)-4-cyclopropyl-1-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]pyrrolidine-3-carboxylic acid

(3R,4R)-4-cyclopropyl-1-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]pyrrolidine-3-carboxylic acid (PubChem CID 133112153) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is (3R,4R)-4-cyclopropyl-1-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-4-cyclopropyl-1-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]pyrrolidine-3-carboxylic acid
PubChem CID133112153
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name(3R,4R)-4-cyclopropyl-1-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]pyrrolidine-3-carboxylic acid
SMILESCc1ncc(CC(=O)N2C[C@H](C(=O)O)[C@@H](C3CC3)C2)c(=O)[nH]1
InChIInChI=1S/C15H19N3O4/c1-8-16-5-10(14(20)17-8)4-13(19)18-6-11(9-2-3-9)12(7-18)15(21)22/h5,9,11-12H,2-4,6-7H2,1H3,(H,21,22)(H,16,17,20)/t11-,12+/m1/s1
InChIKeyJDMRRASMLOONIO-NEPJUHHUSA-N
XLogP0.19
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R,4R)-4-cyclopropyl-1-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]pyrrolidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,4S)-4-cyclopropyl-1-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 72838996
2-methyl-5-[2-oxo-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one
CID 56906487
5-[2-[(3R,4R)-3-hydroxy-4-methyl-3-propan-2-ylpyrrolidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one
CID 72898008
5-[2-[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one
CID 133134147
(3R,4R)-4-cyclopropyl-1-[2-(4-methylsulfonylphenyl)acetyl]pyrrolidine-3-carboxylic acid
CID 133109698
2-methyl-5-[2-oxo-2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidin-6-one
CID 74223793
(3R,4R)-4-cyclopropyl-1-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]pyrrolidine-3-carboxylic acid
CID 120978048
2-methyl-8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 72877968
(3R,4R)-4-cyclopropyl-1-(2-naphthalen-1-ylacetyl)pyrrolidine-3-carboxylic acid
CID 120979377
(3R,4R)-4-cyclopropyl-1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 120978523
(3R,4R)-4-cyclopropyl-1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]pyrrolidine-3-carboxylic acid
CID 120978490
(3R,4R)-4-cyclopropyl-1-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]pyrrolidine-3-carboxylic acid
CID 120978114

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-cyclopropyl-1-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R,4R)-4-cyclopropyl-1-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]pyrrolidine-3-carboxylic acid (CID 133112153) is (3R,4R)-4-cyclopropyl-1-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R,4R)-4-cyclopropyl-1-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R,4R)-4-cyclopropyl-1-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]pyrrolidine-3-carboxylic acid is Cc1ncc(CC(=O)N2C[C@H](C(=O)O)[C@@H](C3CC3)C2)c(=O)[nH]1.
What is the InChIKey of (3R,4R)-4-cyclopropyl-1-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]pyrrolidine-3-carboxylic acid?
The InChIKey is JDMRRASMLOONIO-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-8-16-5-10(14(20)17-8)4-13(19)18-6-11(9-2-3-9)12(7-18)15(21)22/h5,9,11-12H,2-4,6-7H2,1H3,(H,21,22)(H,16,17,20)/t11-,12+/m1/s1.
What are the key properties of (3R,4R)-4-cyclopropyl-1-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]pyrrolidine-3-carboxylic acid?
(3R,4R)-4-cyclopropyl-1-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]pyrrolidine-3-carboxylic acid has a molecular weight of 305.33 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-cyclopropyl-1-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 133112153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).