(2S)-1-(2-cyclopropylpyrimidine-4-carbonyl)pyrrolidine-2-carboxylic acid

C13H15N3O3 — CID 125149419

IUPAC(2S)-1-(2-cyclopropylpyrimidine-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)c1ccnc(C2CC2)n1
InChIInChI=1S/C13H15N3O3/c17-12(16-7-1-2-10(16)13(18)19)9-5-6-14-11(15-9)8-3-4-8/h5-6,8,10H,1-4,7H2,(H,18,19)/t10-/m0/s1
InChIKeyQPDDTIGTHJVOBS-JTQLQIEISA-N
MW261.28 g/mol
LogP1.04
Rot. Bonds3

About (2S)-1-(2-cyclopropylpyrimidine-4-carbonyl)pyrrolidine-2-carboxylic acid

(2S)-1-(2-cyclopropylpyrimidine-4-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 125149419) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is (2S)-1-(2-cyclopropylpyrimidine-4-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(2-cyclopropylpyrimidine-4-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID125149419
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name(2S)-1-(2-cyclopropylpyrimidine-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)c1ccnc(C2CC2)n1
InChIInChI=1S/C13H15N3O3/c17-12(16-7-1-2-10(16)13(18)19)9-5-6-14-11(15-9)8-3-4-8/h5-6,8,10H,1-4,7H2,(H,18,19)/t10-/m0/s1
InChIKeyQPDDTIGTHJVOBS-JTQLQIEISA-N
XLogP1.04
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-2-(2-cyclopropylpyrimidine-4-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 125150886
2-cyclobutylpyrimidine-4-carboxylic acid
CID 64985955
(2-cyclopropylpyrimidin-4-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 125118280
1-(pyridine-2-carbonyl)azepane-2-carboxylic acid
CID 64559743
(2S)-1-(1,2-oxazole-3-carbonyl)piperidine-2-carboxylic acid
CID 66263273
1-(6-chloropyridine-2-carbonyl)piperidine-2-carboxylic acid
CID 62241098
1-(1-methylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 103116373
1-(3-hydroxypyridine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 19790874
1-(3-methylpyridine-2-carbonyl)piperidine-2-carboxylic acid
CID 62339102
(2R)-1-(imidazo[1,2-a]pyrimidine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 119371770
1-(6-oxo-1H-pyridazine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 43355515
(2S)-1-(2-amino-1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 62787051

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-cyclopropylpyrimidine-4-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(2-cyclopropylpyrimidine-4-carbonyl)pyrrolidine-2-carboxylic acid (CID 125149419) is (2S)-1-(2-cyclopropylpyrimidine-4-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(2-cyclopropylpyrimidine-4-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(2-cyclopropylpyrimidine-4-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1C(=O)c1ccnc(C2CC2)n1.
What is the InChIKey of (2S)-1-(2-cyclopropylpyrimidine-4-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is QPDDTIGTHJVOBS-JTQLQIEISA-N. The full InChI is InChI=1S/C13H15N3O3/c17-12(16-7-1-2-10(16)13(18)19)9-5-6-14-11(15-9)8-3-4-8/h5-6,8,10H,1-4,7H2,(H,18,19)/t10-/m0/s1.
What are the key properties of (2S)-1-(2-cyclopropylpyrimidine-4-carbonyl)pyrrolidine-2-carboxylic acid?
(2S)-1-(2-cyclopropylpyrimidine-4-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 261.28 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-cyclopropylpyrimidine-4-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 125149419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).