4-hydroxy-1-(4-methylpyrimidin-2-yl)pyrrolidine-2-carboxylic acid

C10H13N3O3 — CID 62959062

IUPAC4-hydroxy-1-(4-methylpyrimidin-2-yl)pyrrolidine-2-carboxylic acid
SMILESCc1ccnc(N2CC(O)CC2C(=O)O)n1
InChIInChI=1S/C10H13N3O3/c1-6-2-3-11-10(12-6)13-5-7(14)4-8(13)9(15)16/h2-3,7-8,14H,4-5H2,1H3,(H,15,16)
InChIKeyDJNMBTWNCXLULW-UHFFFAOYSA-N
MW223.23 g/mol
LogP-0.19
Rot. Bonds2

About 4-hydroxy-1-(4-methylpyrimidin-2-yl)pyrrolidine-2-carboxylic acid

4-hydroxy-1-(4-methylpyrimidin-2-yl)pyrrolidine-2-carboxylic acid (PubChem CID 62959062) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 4-hydroxy-1-(4-methylpyrimidin-2-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-(4-methylpyrimidin-2-yl)pyrrolidine-2-carboxylic acid
PubChem CID62959062
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name4-hydroxy-1-(4-methylpyrimidin-2-yl)pyrrolidine-2-carboxylic acid
SMILESCc1ccnc(N2CC(O)CC2C(=O)O)n1
InChIInChI=1S/C10H13N3O3/c1-6-2-3-11-10(12-6)13-5-7(14)4-8(13)9(15)16/h2-3,7-8,14H,4-5H2,1H3,(H,15,16)
InChIKeyDJNMBTWNCXLULW-UHFFFAOYSA-N
XLogP-0.19
TPSA86.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-hydroxy-1-(4-methylpyrimidin-2-yl)pyrrolidine-2-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

1-(4-methylpyrimidin-2-yl)azetidin-3-ol
CID 63283961
1-(4-methylpyrimidin-2-yl)piperazine-2-carboxylic acid;hydrochloride
CID 71639214
(2R,4S)-4-hydroxy-1-(6-methyl-3-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 95987380
4-methyl-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-ol
CID 131025799
5-(3-methoxyphenyl)-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-ol
CID 128964251
4-hydroxy-1-(5-methyl-4-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 83267948
1-(3-cyano-2,6-dimethyl-4-pyridinyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 81051197
4-hydroxy-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid
CID 114351745
4-hydroxy-1-(6-methoxy-5-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 66333746
4-hydroxy-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxylic acid
CID 16794593
4-methyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxylic acid
CID 63124110
(2S,4R)-1-(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 122565251

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(4-methylpyrimidin-2-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-hydroxy-1-(4-methylpyrimidin-2-yl)pyrrolidine-2-carboxylic acid (CID 62959062) is 4-hydroxy-1-(4-methylpyrimidin-2-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-(4-methylpyrimidin-2-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-(4-methylpyrimidin-2-yl)pyrrolidine-2-carboxylic acid is Cc1ccnc(N2CC(O)CC2C(=O)O)n1.
What is the InChIKey of 4-hydroxy-1-(4-methylpyrimidin-2-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is DJNMBTWNCXLULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-6-2-3-11-10(12-6)13-5-7(14)4-8(13)9(15)16/h2-3,7-8,14H,4-5H2,1H3,(H,15,16).
What are the key properties of 4-hydroxy-1-(4-methylpyrimidin-2-yl)pyrrolidine-2-carboxylic acid?
4-hydroxy-1-(4-methylpyrimidin-2-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of -0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(4-methylpyrimidin-2-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 62959062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).