2-[4-(hydroxymethyl)pyrimidin-2-yl]pyrrolidine-1-carboxylic acid

C10H13N3O3 — CID 137498982

IUPAC2-[4-(hydroxymethyl)pyrimidin-2-yl]pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCCC1c1nccc(CO)n1
InChIInChI=1S/C10H13N3O3/c14-6-7-3-4-11-9(12-7)8-2-1-5-13(8)10(15)16/h3-4,8,14H,1-2,5-6H2,(H,15,16)
InChIKeyCLCUZQVOHDUNSN-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.78
Rot. Bonds2

About 2-[4-(hydroxymethyl)pyrimidin-2-yl]pyrrolidine-1-carboxylic acid

2-[4-(hydroxymethyl)pyrimidin-2-yl]pyrrolidine-1-carboxylic acid (PubChem CID 137498982) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)pyrimidin-2-yl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)pyrimidin-2-yl]pyrrolidine-1-carboxylic acid
PubChem CID137498982
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name2-[4-(hydroxymethyl)pyrimidin-2-yl]pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCCC1c1nccc(CO)n1
InChIInChI=1S/C10H13N3O3/c14-6-7-3-4-11-9(12-7)8-2-1-5-13(8)10(15)16/h3-4,8,14H,1-2,5-6H2,(H,15,16)
InChIKeyCLCUZQVOHDUNSN-UHFFFAOYSA-N
XLogP0.78
TPSA86.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-(hydroxymethyl)pyrimidin-2-yl]pyrrolidine-1-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

benzyl 2-[4-(hydroxymethyl)pyrimidin-2-yl]pyrrolidine-1-carboxylate
CID 175062089
1-[(2S)-2-[4-[(dimethylamino)methyl]pyrimidin-2-yl]pyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 124974232
[2-[4-[(dimethylamino)methyl]pyrimidin-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 110117162
N-[[2-[(2R)-1-[2-(dimethylamino)acetyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 124953617
[(2S)-2-[4-[(dimethylamino)methyl]pyrimidin-2-yl]pyrrolidin-1-yl]-(2-fluorophenyl)methanone
CID 124979411
1-[(2S)-2-[4-[(dimethylamino)methyl]pyrimidin-2-yl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 125013326
N-[[2-[(2S)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 124983833
N-[[2-[1-(3-methylthiophene-2-carbonyl)pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 110117255
(2S)-2-[1-[2-(aminomethyl)phenyl]imidazol-2-yl]pyrrolidine-1-carboxylic acid
CID 156500371
2-[2-oxo-2-[2-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]ethyl]sulfanylacetic acid
CID 136552081
[(2S)-2-[4-[(dimethylamino)methyl]pyrimidin-2-yl]pyrrolidin-1-yl]-[4-(methoxymethyl)phenyl]methanone
CID 124998852
1-[2-(4-methylpyrimidin-2-yl)piperidin-1-yl]propan-1-one
CID 73439064

Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)pyrimidin-2-yl]pyrrolidine-1-carboxylic acid?
The IUPAC name of 2-[4-(hydroxymethyl)pyrimidin-2-yl]pyrrolidine-1-carboxylic acid (CID 137498982) is 2-[4-(hydroxymethyl)pyrimidin-2-yl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-[4-(hydroxymethyl)pyrimidin-2-yl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-[4-(hydroxymethyl)pyrimidin-2-yl]pyrrolidine-1-carboxylic acid is O=C(O)N1CCCC1c1nccc(CO)n1.
What is the InChIKey of 2-[4-(hydroxymethyl)pyrimidin-2-yl]pyrrolidine-1-carboxylic acid?
The InChIKey is CLCUZQVOHDUNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c14-6-7-3-4-11-9(12-7)8-2-1-5-13(8)10(15)16/h3-4,8,14H,1-2,5-6H2,(H,15,16).
What are the key properties of 2-[4-(hydroxymethyl)pyrimidin-2-yl]pyrrolidine-1-carboxylic acid?
2-[4-(hydroxymethyl)pyrimidin-2-yl]pyrrolidine-1-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)pyrimidin-2-yl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 137498982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).