1-[(4-amino-2-phenylphenyl)methyl]pyrrolidine-2,4-dicarboxylic acid

C19H20N2O4 — CID 67761005

IUPAC1-[(4-amino-2-phenylphenyl)methyl]pyrrolidine-2,4-dicarboxylic acid
SMILESNc1ccc(CN2CC(C(=O)O)CC2C(=O)O)c(-c2ccccc2)c1
InChIInChI=1S/C19H20N2O4/c20-15-7-6-13(16(9-15)12-4-2-1-3-5-12)10-21-11-14(18(22)23)8-17(21)19(24)25/h1-7,9,14,17H,8,10-11,20H2,(H,22,23)(H,24,25)
InChIKeyFCXNVYZNGLALJP-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.30
Rot. Bonds5

About 1-[(4-amino-2-phenylphenyl)methyl]pyrrolidine-2,4-dicarboxylic acid

1-[(4-amino-2-phenylphenyl)methyl]pyrrolidine-2,4-dicarboxylic acid (PubChem CID 67761005) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 1-[(4-amino-2-phenylphenyl)methyl]pyrrolidine-2,4-dicarboxylic acid.

Molecular Properties

Compound Name1-[(4-amino-2-phenylphenyl)methyl]pyrrolidine-2,4-dicarboxylic acid
PubChem CID67761005
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name1-[(4-amino-2-phenylphenyl)methyl]pyrrolidine-2,4-dicarboxylic acid
SMILESNc1ccc(CN2CC(C(=O)O)CC2C(=O)O)c(-c2ccccc2)c1
InChIInChI=1S/C19H20N2O4/c20-15-7-6-13(16(9-15)12-4-2-1-3-5-12)10-21-11-14(18(22)23)8-17(21)19(24)25/h1-7,9,14,17H,8,10-11,20H2,(H,22,23)(H,24,25)
InChIKeyFCXNVYZNGLALJP-UHFFFAOYSA-N
XLogP2.30
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2S,4S)-4-amino-N-methyl-1-[(2-phenylphenyl)methyl]pyrrolidine-2-carboxamide
CID 56701641
(2R,4S)-1-phenylmethoxycarbonylpyrrolidine-2,4-dicarboxylic acid
CID 18391508
3-phenyl-4-pyrrolidin-1-ylaniline
CID 18371751
4-hydroxy-1-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxylic acid
CID 114351359
bis(4-amino-2-phenylphenyl)methanone
CID 70118096
1-(4-aminobutyl)pyrrolidine-2,4-dicarboxylic acid
CID 67760725
1-[(2,4-dichlorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351539
1-[(4-phenylphenyl)methyl]azetidine-3-carboxylic acid
CID 59451803
1-[2-(3-aminophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 65349873
1-[(2-ethoxyphenyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351656
(2S)-1-tritylpyrrolidine-2,4-dicarboxylic acid
CID 69364853
1-[(2-methoxy-4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 122036642

Frequently Asked Questions

What is the IUPAC name of 1-[(4-amino-2-phenylphenyl)methyl]pyrrolidine-2,4-dicarboxylic acid?
The IUPAC name of 1-[(4-amino-2-phenylphenyl)methyl]pyrrolidine-2,4-dicarboxylic acid (CID 67761005) is 1-[(4-amino-2-phenylphenyl)methyl]pyrrolidine-2,4-dicarboxylic acid.
What is the SMILES notation for 1-[(4-amino-2-phenylphenyl)methyl]pyrrolidine-2,4-dicarboxylic acid?
The canonical SMILES for 1-[(4-amino-2-phenylphenyl)methyl]pyrrolidine-2,4-dicarboxylic acid is Nc1ccc(CN2CC(C(=O)O)CC2C(=O)O)c(-c2ccccc2)c1.
What is the InChIKey of 1-[(4-amino-2-phenylphenyl)methyl]pyrrolidine-2,4-dicarboxylic acid?
The InChIKey is FCXNVYZNGLALJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c20-15-7-6-13(16(9-15)12-4-2-1-3-5-12)10-21-11-14(18(22)23)8-17(21)19(24)25/h1-7,9,14,17H,8,10-11,20H2,(H,22,23)(H,24,25).
What are the key properties of 1-[(4-amino-2-phenylphenyl)methyl]pyrrolidine-2,4-dicarboxylic acid?
1-[(4-amino-2-phenylphenyl)methyl]pyrrolidine-2,4-dicarboxylic acid has a molecular weight of 340.38 g/mol, XLogP of 2.30, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-amino-2-phenylphenyl)methyl]pyrrolidine-2,4-dicarboxylic acid is sourced from PubChem (CID 67761005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).