(2S,4S)-4-amino-1-(2-phenylmethoxybenzoyl)pyrrolidine-2-carboxylic acid

C19H20N2O4 — CID 70706699

IUPAC(2S,4S)-4-amino-1-(2-phenylmethoxybenzoyl)pyrrolidine-2-carboxylic acid
SMILESN[C@H]1C[C@@H](C(=O)O)N(C(=O)c2ccccc2OCc2ccccc2)C1
InChIInChI=1S/C19H20N2O4/c20-14-10-16(19(23)24)21(11-14)18(22)15-8-4-5-9-17(15)25-12-13-6-2-1-3-7-13/h1-9,14,16H,10-12,20H2,(H,23,24)/t14-,16-/m0/s1
InChIKeyQIPWSQLOCTWPPE-HOCLYGCPSA-N
MW340.38 g/mol
LogP1.89
Rot. Bonds5

About (2S,4S)-4-amino-1-(2-phenylmethoxybenzoyl)pyrrolidine-2-carboxylic acid

(2S,4S)-4-amino-1-(2-phenylmethoxybenzoyl)pyrrolidine-2-carboxylic acid (PubChem CID 70706699) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is (2S,4S)-4-amino-1-(2-phenylmethoxybenzoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-4-amino-1-(2-phenylmethoxybenzoyl)pyrrolidine-2-carboxylic acid
PubChem CID70706699
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name(2S,4S)-4-amino-1-(2-phenylmethoxybenzoyl)pyrrolidine-2-carboxylic acid
SMILESN[C@H]1C[C@@H](C(=O)O)N(C(=O)c2ccccc2OCc2ccccc2)C1
InChIInChI=1S/C19H20N2O4/c20-14-10-16(19(23)24)21(11-14)18(22)15-8-4-5-9-17(15)25-12-13-6-2-1-3-7-13/h1-9,14,16H,10-12,20H2,(H,23,24)/t14-,16-/m0/s1
InChIKeyQIPWSQLOCTWPPE-HOCLYGCPSA-N
XLogP1.89
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,4S)-4-amino-1-(2-phenylmethoxybenzoyl)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

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-amino-1-(2-phenylmethoxybenzoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-4-amino-1-(2-phenylmethoxybenzoyl)pyrrolidine-2-carboxylic acid (CID 70706699) is (2S,4S)-4-amino-1-(2-phenylmethoxybenzoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-4-amino-1-(2-phenylmethoxybenzoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-4-amino-1-(2-phenylmethoxybenzoyl)pyrrolidine-2-carboxylic acid is N[C@H]1C[C@@H](C(=O)O)N(C(=O)c2ccccc2OCc2ccccc2)C1.
What is the InChIKey of (2S,4S)-4-amino-1-(2-phenylmethoxybenzoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is QIPWSQLOCTWPPE-HOCLYGCPSA-N. The full InChI is InChI=1S/C19H20N2O4/c20-14-10-16(19(23)24)21(11-14)18(22)15-8-4-5-9-17(15)25-12-13-6-2-1-3-7-13/h1-9,14,16H,10-12,20H2,(H,23,24)/t14-,16-/m0/s1.
What are the key properties of (2S,4S)-4-amino-1-(2-phenylmethoxybenzoyl)pyrrolidine-2-carboxylic acid?
(2S,4S)-4-amino-1-(2-phenylmethoxybenzoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 340.38 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-amino-1-(2-phenylmethoxybenzoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 70706699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).