3-amino-2-[(3-phenylphenyl)methyl]pyrrolidine-1-carboxylic acid

C18H20N2O2 — CID 154960242

IUPAC3-amino-2-[(3-phenylphenyl)methyl]pyrrolidine-1-carboxylic acid
SMILESNC1CCN(C(=O)O)C1Cc1cccc(-c2ccccc2)c1
InChIInChI=1S/C18H20N2O2/c19-16-9-10-20(18(21)22)17(16)12-13-5-4-8-15(11-13)14-6-2-1-3-7-14/h1-8,11,16-17H,9-10,12,19H2,(H,21,22)
InChIKeySIPXUJNHTNDEQF-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.98
Rot. Bonds3

About 3-amino-2-[(3-phenylphenyl)methyl]pyrrolidine-1-carboxylic acid

3-amino-2-[(3-phenylphenyl)methyl]pyrrolidine-1-carboxylic acid (PubChem CID 154960242) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-amino-2-[(3-phenylphenyl)methyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-amino-2-[(3-phenylphenyl)methyl]pyrrolidine-1-carboxylic acid
PubChem CID154960242
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name3-amino-2-[(3-phenylphenyl)methyl]pyrrolidine-1-carboxylic acid
SMILESNC1CCN(C(=O)O)C1Cc1cccc(-c2ccccc2)c1
InChIInChI=1S/C18H20N2O2/c19-16-9-10-20(18(21)22)17(16)12-13-5-4-8-15(11-13)14-6-2-1-3-7-14/h1-8,11,16-17H,9-10,12,19H2,(H,21,22)
InChIKeySIPXUJNHTNDEQF-UHFFFAOYSA-N
XLogP2.98
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cyclobutylmethyl 3-amino-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
CID 137470985
[(2R,3R)-3-amino-2-[[3-(3-fluorophenyl)phenyl]methyl]pyrrolidin-1-yl]-cyclobutylmethanone
CID 156533967
[3-amino-2-[(3-fluoro-5-phenylphenyl)methyl]pyrrolidin-1-yl]-cyclobutylmethanone
CID 137471231
methyl 3-amino-2-[[3-(4-methylphenyl)phenyl]methyl]piperidine-1-carboxylate
CID 137470993
3-oxo-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylic acid
CID 154960197
7-amino-6-[(3-phenylphenyl)methyl]-2,3,6,7,8,9-hexahydroquinolizin-4-one
CID 166798688
3-amino-2-[(6-phenyl-2-pyridinyl)methyl]piperidine-1-carboxylic acid
CID 154960189
N-[(2S,3S)-2-[(3-phenylphenyl)methyl]-1-propanoylpyrrolidin-3-yl]methanesulfonamide
CID 137461172
[3-amino-2-[[4-fluoro-3-(3-fluorophenyl)phenyl]methyl]pyrrolidin-1-yl]-cyclobutylmethanone
CID 137471212
[1-(1-fluorocyclopropanecarbonyl)-2-[(3-phenylphenyl)methyl]piperidin-3-yl]azanium
CID 142524746
(1-methylcyclopropyl)methyl (2S,3S)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]pyrrolidine-1-carboxylate
CID 137461947
N-[1-(2-methylbutanoyl)-2-[(3-phenylphenyl)methyl]pyrrolidin-3-yl]methanesulfonamide
CID 137461609

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[(3-phenylphenyl)methyl]pyrrolidine-1-carboxylic acid?
The IUPAC name of 3-amino-2-[(3-phenylphenyl)methyl]pyrrolidine-1-carboxylic acid (CID 154960242) is 3-amino-2-[(3-phenylphenyl)methyl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3-amino-2-[(3-phenylphenyl)methyl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for 3-amino-2-[(3-phenylphenyl)methyl]pyrrolidine-1-carboxylic acid is NC1CCN(C(=O)O)C1Cc1cccc(-c2ccccc2)c1.
What is the InChIKey of 3-amino-2-[(3-phenylphenyl)methyl]pyrrolidine-1-carboxylic acid?
The InChIKey is SIPXUJNHTNDEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c19-16-9-10-20(18(21)22)17(16)12-13-5-4-8-15(11-13)14-6-2-1-3-7-14/h1-8,11,16-17H,9-10,12,19H2,(H,21,22).
What are the key properties of 3-amino-2-[(3-phenylphenyl)methyl]pyrrolidine-1-carboxylic acid?
3-amino-2-[(3-phenylphenyl)methyl]pyrrolidine-1-carboxylic acid has a molecular weight of 296.37 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[(3-phenylphenyl)methyl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 154960242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).