5-(5-chloro-2-hydroxy-4-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid

C14H18ClNO3 — CID 117456036

IUPAC5-(5-chloro-2-hydroxy-4-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid
SMILESCC(C)c1cc(O)c(C2CC(C(=O)O)CN2)cc1Cl
InChIInChI=1S/C14H18ClNO3/c1-7(2)9-5-13(17)10(4-11(9)15)12-3-8(6-16-12)14(18)19/h4-5,7-8,12,16-17H,3,6H2,1-2H3,(H,18,19)
InChIKeyXQRPFHLUZMZFNM-UHFFFAOYSA-N
MW283.75 g/mol
LogP2.90
Rot. Bonds3

About 5-(5-chloro-2-hydroxy-4-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid

5-(5-chloro-2-hydroxy-4-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid (PubChem CID 117456036) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is 5-(5-chloro-2-hydroxy-4-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-(5-chloro-2-hydroxy-4-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid
PubChem CID117456036
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name5-(5-chloro-2-hydroxy-4-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid
SMILESCC(C)c1cc(O)c(C2CC(C(=O)O)CN2)cc1Cl
InChIInChI=1S/C14H18ClNO3/c1-7(2)9-5-13(17)10(4-11(9)15)12-3-8(6-16-12)14(18)19/h4-5,7-8,12,16-17H,3,6H2,1-2H3,(H,18,19)
InChIKeyXQRPFHLUZMZFNM-UHFFFAOYSA-N
XLogP2.90
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 5-(5-chloro-2-hydroxy-4-propan-2-ylphenyl)pyrrolidine-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

5-(2-hydroxy-4-methyl-5-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid
CID 117412790
5-(2-hydroxy-4,5-dimethylphenyl)pyrrolidine-3-carboxylic acid
CID 117342440
5-(2,5-dihydroxy-4-methylphenyl)pyrrolidine-3-carboxylic acid
CID 117346419
5-(5-carboxy-2,4-dihydroxyphenyl)pyrrolidine-3-carboxylic acid
CID 117421187
5-(2-hydroxy-4,5-dimethoxyphenyl)pyrrolidine-3-carboxylic acid
CID 117421330
5-(5-chloro-2,3-difluoro-4-hydroxyphenyl)pyrrolidine-3-carboxylic acid
CID 117445079
5-[4-(difluoromethyl)-2-hydroxyphenyl]pyrrolidine-3-carboxylic acid
CID 117395835
5-(3-chloro-5-fluoro-2-methylphenyl)pyrrolidine-3-carboxylic acid
CID 117397530
5-(2-hydroxy-4-methoxy-5-methoxycarbonylphenyl)pyrrolidine-3-carboxylic acid
CID 117475863
5-(2-chloro-5-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 117392324
5-(3-chloro-6-hydroxy-2-methylphenyl)pyrrolidine-3-carboxylic acid
CID 117392326
5-(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)pyrrolidine-3-carboxylic acid
CID 117498911

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-hydroxy-4-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-(5-chloro-2-hydroxy-4-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid (CID 117456036) is 5-(5-chloro-2-hydroxy-4-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-(5-chloro-2-hydroxy-4-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-(5-chloro-2-hydroxy-4-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid is CC(C)c1cc(O)c(C2CC(C(=O)O)CN2)cc1Cl.
What is the InChIKey of 5-(5-chloro-2-hydroxy-4-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid?
The InChIKey is XQRPFHLUZMZFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-7(2)9-5-13(17)10(4-11(9)15)12-3-8(6-16-12)14(18)19/h4-5,7-8,12,16-17H,3,6H2,1-2H3,(H,18,19).
What are the key properties of 5-(5-chloro-2-hydroxy-4-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid?
5-(5-chloro-2-hydroxy-4-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid has a molecular weight of 283.75 g/mol, XLogP of 2.90, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-hydroxy-4-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 117456036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).