(3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(2,2-diphenylethylcarbamoyl)-4-oxoazetidine-2-carboxylic acid

C25H24N4O4 — CID 138546249

IUPAC(3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(2,2-diphenylethylcarbamoyl)-4-oxoazetidine-2-carboxylic acid
SMILESNc1cc(C[C@H]2C(=O)N(C(=O)NCC(c3ccccc3)c3ccccc3)C2C(=O)O)ccn1
InChIInChI=1S/C25H24N4O4/c26-21-14-16(11-12-27-21)13-19-22(24(31)32)29(23(19)30)25(33)28-15-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-12,14,19-20,22H,13,15H2,(H2,26,27)(H,28,33)(H,31,32)/t19-,22?/m1/s1
InChIKeyIMUDUQUSUXPYDF-LCQOSCCDSA-N
MW444.49 g/mol
LogP2.66
Rot. Bonds7

About (3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(2,2-diphenylethylcarbamoyl)-4-oxoazetidine-2-carboxylic acid

(3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(2,2-diphenylethylcarbamoyl)-4-oxoazetidine-2-carboxylic acid (PubChem CID 138546249) has the molecular formula C25H24N4O4 and a molecular weight of 444.49 g/mol. Its IUPAC name is (3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(2,2-diphenylethylcarbamoyl)-4-oxoazetidine-2-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(2,2-diphenylethylcarbamoyl)-4-oxoazetidine-2-carboxylic acid
PubChem CID138546249
Molecular FormulaC25H24N4O4
Molecular Weight444.49 g/mol
Exact Mass444.18
IUPAC Name(3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(2,2-diphenylethylcarbamoyl)-4-oxoazetidine-2-carboxylic acid
SMILESNc1cc(C[C@H]2C(=O)N(C(=O)NCC(c3ccccc3)c3ccccc3)C2C(=O)O)ccn1
InChIInChI=1S/C25H24N4O4/c26-21-14-16(11-12-27-21)13-19-22(24(31)32)29(23(19)30)25(33)28-15-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-12,14,19-20,22H,13,15H2,(H2,26,27)(H,28,33)(H,31,32)/t19-,22?/m1/s1
InChIKeyIMUDUQUSUXPYDF-LCQOSCCDSA-N
XLogP2.66
TPSA125.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(2,2-diphenylethylcarbamoyl)-4-oxoazetidine-2-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-benzhydryl-4-oxoazetidine-1,2-dicarboxamide
CID 118299696
3-[(2-amino-4-pyridinyl)methyl]-4-oxo-1-(1-quinolin-3-ylethylcarbamoyl)azetidine-2-carboxylic acid
CID 123522732
(2S)-3-[(2-amino-4-pyridinyl)methyl]-4-oxo-1-[[(1R)-1-pyrimidin-5-ylethyl]carbamoyl]azetidine-2-carboxylic acid
CID 126555424
(2S,3R)-3-[2-(2-amino-4-pyridinyl)ethyl]-1-(benzhydrylcarbamoyl)-4-oxoazetidine-2-carboxylic acid
CID 118299484
3-[(2-amino-4-pyridinyl)methyl]-1-[1-(4-fluorophenyl)ethylcarbamoyl]-4-oxoazetidine-2-carboxylic acid
CID 123511480
(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(3,3-diphenylpropanoyl)-N-ethyl-4-oxoazetidine-2-carboxamide
CID 157290882
(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1R)-1-(3,4-difluorophenyl)ethyl]carbamoyl]-4-oxoazetidine-2-carboxylic acid
CID 118299513
3-[(2-amino-4-pyridinyl)methyl]-1-[1-(3,4-difluorophenyl)ethylcarbamoyl]-4-oxoazetidine-2-carboxylic acid
CID 123384202
3-[(2-amino-4-pyridinyl)methyl]-1-(1-isoquinolin-4-ylethylcarbamoyl)-4-oxoazetidine-2-carboxylic acid
CID 123788534
benzyl (2S)-3-[(2-amino-4-pyridinyl)methyl]-4-oxo-1-[[(1R)-1-phenylethyl]carbamoyl]azetidine-2-carboxylate
CID 126557070
[1-[(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-carboxy-4-oxoazetidin-1-yl]-2-methylprop-1-enyl]azanide
CID 163502987
(2,2,2-trifluoroacetyl) 3-[(2-amino-4-pyridinyl)methyl]-4-oxo-1-[[(1R)-1-phenylethyl]carbamoyl]azetidine-2-carboxylate
CID 87511612

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(2,2-diphenylethylcarbamoyl)-4-oxoazetidine-2-carboxylic acid?
The IUPAC name of (3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(2,2-diphenylethylcarbamoyl)-4-oxoazetidine-2-carboxylic acid (CID 138546249) is (3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(2,2-diphenylethylcarbamoyl)-4-oxoazetidine-2-carboxylic acid.
What is the SMILES notation for (3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(2,2-diphenylethylcarbamoyl)-4-oxoazetidine-2-carboxylic acid?
The canonical SMILES for (3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(2,2-diphenylethylcarbamoyl)-4-oxoazetidine-2-carboxylic acid is Nc1cc(C[C@H]2C(=O)N(C(=O)NCC(c3ccccc3)c3ccccc3)C2C(=O)O)ccn1.
What is the InChIKey of (3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(2,2-diphenylethylcarbamoyl)-4-oxoazetidine-2-carboxylic acid?
The InChIKey is IMUDUQUSUXPYDF-LCQOSCCDSA-N. The full InChI is InChI=1S/C25H24N4O4/c26-21-14-16(11-12-27-21)13-19-22(24(31)32)29(23(19)30)25(33)28-15-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-12,14,19-20,22H,13,15H2,(H2,26,27)(H,28,33)(H,31,32)/t19-,22?/m1/s1.
What are the key properties of (3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(2,2-diphenylethylcarbamoyl)-4-oxoazetidine-2-carboxylic acid?
(3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(2,2-diphenylethylcarbamoyl)-4-oxoazetidine-2-carboxylic acid has a molecular weight of 444.49 g/mol, XLogP of 2.66, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(2,2-diphenylethylcarbamoyl)-4-oxoazetidine-2-carboxylic acid is sourced from PubChem (CID 138546249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).