4-pyrimidin-5-ylpyrrolidine-3-carboxylic acid

C9H11N3O2 — CID 130922382

IUPAC4-pyrimidin-5-ylpyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CNCC1c1cncnc1
InChIInChI=1S/C9H11N3O2/c13-9(14)8-4-10-3-7(8)6-1-11-5-12-2-6/h1-2,5,7-8,10H,3-4H2,(H,13,14)
InChIKeyMDWZMCYYKPGWSW-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.14
Rot. Bonds2

About 4-pyrimidin-5-ylpyrrolidine-3-carboxylic acid

4-pyrimidin-5-ylpyrrolidine-3-carboxylic acid (PubChem CID 130922382) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 4-pyrimidin-5-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-pyrimidin-5-ylpyrrolidine-3-carboxylic acid
PubChem CID130922382
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name4-pyrimidin-5-ylpyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CNCC1c1cncnc1
InChIInChI=1S/C9H11N3O2/c13-9(14)8-4-10-3-7(8)6-1-11-5-12-2-6/h1-2,5,7-8,10H,3-4H2,(H,13,14)
InChIKeyMDWZMCYYKPGWSW-UHFFFAOYSA-N
XLogP-0.14
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-pyrimidin-5-ylpyrrolidine-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,4R)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylic acid
CID 2762183
(3R,4R)-4-(4-methylphenyl)pyrrolidine-3-carboxylic acid
CID 7145905
4-(3,5-dichlorophenyl)pyrrolidine-3-carboxylic acid
CID 134162621
(3R,4S)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 56972006
4-(4-bromophenyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 53398064
(3R,4S)-4-thiophen-3-ylpyrrolidine-3-carboxylic acid
CID 56971991
(3R,4S)-4-(3-methylimidazol-4-yl)pyrrolidine-3-carboxylic acid
CID 124510743
1-[(1R,2R)-2-pyrimidin-5-ylcyclopropyl]ethanone
CID 154624191
(3R)-4-(4-ethylphenyl)pyrrolidine-3-carboxylic acid
CID 46839530
(3R,4R)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 7145970
4-(3-hydroxyphenyl)pyrrolidine-3-carboxylic acid
CID 53398348
(3S,4R)-4-(3-chlorophenyl)pyrrolidine-3-carboxylic acid
CID 2762108

Frequently Asked Questions

What is the IUPAC name of 4-pyrimidin-5-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of 4-pyrimidin-5-ylpyrrolidine-3-carboxylic acid (CID 130922382) is 4-pyrimidin-5-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 4-pyrimidin-5-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 4-pyrimidin-5-ylpyrrolidine-3-carboxylic acid is O=C(O)C1CNCC1c1cncnc1.
What is the InChIKey of 4-pyrimidin-5-ylpyrrolidine-3-carboxylic acid?
The InChIKey is MDWZMCYYKPGWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c13-9(14)8-4-10-3-7(8)6-1-11-5-12-2-6/h1-2,5,7-8,10H,3-4H2,(H,13,14).
What are the key properties of 4-pyrimidin-5-ylpyrrolidine-3-carboxylic acid?
4-pyrimidin-5-ylpyrrolidine-3-carboxylic acid has a molecular weight of 193.21 g/mol, XLogP of -0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrimidin-5-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 130922382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).