(3R,4R)-4-methyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid

C14H17NO4 — CID 93077842

IUPAC(3R,4R)-4-methyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
SMILESC[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1C(=O)O
InChIInChI=1S/C14H17NO4/c1-10-7-15(8-12(10)13(16)17)14(18)19-9-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3,(H,16,17)/t10-,12-/m0/s1
InChIKeyBBGSNKXBKDVHPM-JQWIXIFHSA-N
MW263.29 g/mol
LogP1.98
Rot. Bonds3

About (3R,4R)-4-methyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid

(3R,4R)-4-methyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid (PubChem CID 93077842) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is (3R,4R)-4-methyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-4-methyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
PubChem CID93077842
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name(3R,4R)-4-methyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
SMILESC[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1C(=O)O
InChIInChI=1S/C14H17NO4/c1-10-7-15(8-12(10)13(16)17)14(18)19-9-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3,(H,16,17)/t10-,12-/m0/s1
InChIKeyBBGSNKXBKDVHPM-JQWIXIFHSA-N
XLogP1.98
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R,4R)-4-methyl-1-phenylmethoxycarbonylpyrrolidine-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

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-methyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3R,4R)-4-methyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid (CID 93077842) is (3R,4R)-4-methyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R,4R)-4-methyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R,4R)-4-methyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid is C[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1C(=O)O.
What is the InChIKey of (3R,4R)-4-methyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid?
The InChIKey is BBGSNKXBKDVHPM-JQWIXIFHSA-N. The full InChI is InChI=1S/C14H17NO4/c1-10-7-15(8-12(10)13(16)17)14(18)19-9-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3,(H,16,17)/t10-,12-/m0/s1.
What are the key properties of (3R,4R)-4-methyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid?
(3R,4R)-4-methyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid has a molecular weight of 263.29 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-methyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 93077842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).