4-hydroxy-2-phenylmethoxycarbonylpyrazolidine-1-carboxylic acid

C12H14N2O5 — CID 142684501

IUPAC4-hydroxy-2-phenylmethoxycarbonylpyrazolidine-1-carboxylic acid
SMILESO=C(O)N1CC(O)CN1C(=O)OCc1ccccc1
InChIInChI=1S/C12H14N2O5/c15-10-6-13(11(16)17)14(7-10)12(18)19-8-9-4-2-1-3-5-9/h1-5,10,15H,6-8H2,(H,16,17)
InChIKeyGTKSZFDXAPCPOV-UHFFFAOYSA-N
MW266.25 g/mol
LogP0.89
Rot. Bonds2

About 4-hydroxy-2-phenylmethoxycarbonylpyrazolidine-1-carboxylic acid

4-hydroxy-2-phenylmethoxycarbonylpyrazolidine-1-carboxylic acid (PubChem CID 142684501) has the molecular formula C12H14N2O5 and a molecular weight of 266.25 g/mol. Its IUPAC name is 4-hydroxy-2-phenylmethoxycarbonylpyrazolidine-1-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-2-phenylmethoxycarbonylpyrazolidine-1-carboxylic acid
PubChem CID142684501
Molecular FormulaC12H14N2O5
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Name4-hydroxy-2-phenylmethoxycarbonylpyrazolidine-1-carboxylic acid
SMILESO=C(O)N1CC(O)CN1C(=O)OCc1ccccc1
InChIInChI=1S/C12H14N2O5/c15-10-6-13(11(16)17)14(7-10)12(18)19-8-9-4-2-1-3-5-9/h1-5,10,15H,6-8H2,(H,16,17)
InChIKeyGTKSZFDXAPCPOV-UHFFFAOYSA-N
XLogP0.89
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-hydroxy-2-phenylmethoxycarbonylpyrazolidine-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

bis[(4-nitrophenyl)methyl] 4-hydroxypyrazolidine-1,2-dicarboxylate
CID 14852197
(3R,4S)-4-hydroxy-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 25418029
benzyl 1,2-diazabicyclo[3.2.1]octane-2-carboxylate
CID 141050346
benzyl (3S)-3-hydroxy-3,4-dihydro-2H-pyridine-1-carboxylate
CID 11031771
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl (3R,4S)-3-hydroxy-4-(trifluoromethyl)pyrrolidine-1-carboxylate
CID 178195250
benzyl (3S,4S)-3-(aminomethyl)-4-hydroxypyrrolidine-1-carboxylate
CID 91666693
benzyl (3S,4S)-3-ethyl-4-hydroxypyrrolidine-1-carboxylate
CID 46939493
benzyl 2-carbamoyl-4-hydroxypyrrolidine-1-carboxylate
CID 18520553
benzyl (2S,4S)-2-formyl-4-hydroxypyrrolidine-1-carboxylate
CID 54234603
benzyl (2S,5R)-5-hydroxy-2-methylpiperidine-1-carboxylate
CID 97112056

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-phenylmethoxycarbonylpyrazolidine-1-carboxylic acid?
The IUPAC name of 4-hydroxy-2-phenylmethoxycarbonylpyrazolidine-1-carboxylic acid (CID 142684501) is 4-hydroxy-2-phenylmethoxycarbonylpyrazolidine-1-carboxylic acid.
What is the SMILES notation for 4-hydroxy-2-phenylmethoxycarbonylpyrazolidine-1-carboxylic acid?
The canonical SMILES for 4-hydroxy-2-phenylmethoxycarbonylpyrazolidine-1-carboxylic acid is O=C(O)N1CC(O)CN1C(=O)OCc1ccccc1.
What is the InChIKey of 4-hydroxy-2-phenylmethoxycarbonylpyrazolidine-1-carboxylic acid?
The InChIKey is GTKSZFDXAPCPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5/c15-10-6-13(11(16)17)14(7-10)12(18)19-8-9-4-2-1-3-5-9/h1-5,10,15H,6-8H2,(H,16,17).
What are the key properties of 4-hydroxy-2-phenylmethoxycarbonylpyrazolidine-1-carboxylic acid?
4-hydroxy-2-phenylmethoxycarbonylpyrazolidine-1-carboxylic acid has a molecular weight of 266.25 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-phenylmethoxycarbonylpyrazolidine-1-carboxylic acid is sourced from PubChem (CID 142684501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).